8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate — IUPAC name, SMILES, InChIKey & properties

Name: 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate

8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate (PubChem CID 158552945) has the molecular formula C96H121N25O10 and a molecular weight of 1785.19 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate.

Molecular Properties

Compound Name	8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
PubChem CID	158552945
Molecular Formula	C96H121N25O10
Molecular Weight	1785.19 g/mol
Exact Mass	1783.97
IUPAC Name	8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate
SMILES	CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(=O)N3CCOCC3)nc1)C(=O)N2.COC(=O)CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1
InChI	InChI=1S/C27H37N7O3.C25H32N6O3.2C22H26N6O2/c1-31(2)27(21-7-5-4-6-8-21)11-9-26(10-12-27)20-34(25(36)30-26)22-17-28-24(29-18-22)33-15-13-32(14-16-33)19-23(35)37-3;1-29(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-31(23(33)28-24)20-16-26-21(27-17-20)22(32)30-12-14-34-15-13-30;21-3-25-22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-28(20(29)27-21)17-14-24-18(13-23)26-19(17)30-2/h4-8,17-18H,9-16,19-20H2,1-3H3,(H,30,36);3-7,16-17H,8-15,18H2,1-2H3,(H,28,33);24-8,14,25H,3,9-12,15H2,1-2H3,(H,27,29)
InChIKey	HPYDTUKUEVZXGM-UHFFFAOYSA-N
XLogP	9.73
TPSA	391.38 Å²
H-Bond Donors	6
H-Bond Acceptors	26
Rotatable Bonds	20
Heavy Atoms	131
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1785.19
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Analyze 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?

The IUPAC name of 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate (CID 158552945) is 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate.

What is the SMILES notation for 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?

The canonical SMILES for 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate is CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1OC)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(=O)N3CCOCC3)nc1)C(=O)N2.COC(=O)CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.

What is the InChIKey of 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?

The InChIKey is HPYDTUKUEVZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O3.C25H32N6O3.2C22H26N6O2/c1-31(2)27(21-7-5-4-6-8-21)11-9-26(10-12-27)20-34(25(36)30-26)22-17-28-24(29-18-22)33-15-13-32(14-16-33)19-23(35)37-3;1-29(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-31(23(33)28-24)20-16-26-21(27-17-20)22(32)30-12-14-34-15-13-30;2*1-3-25-22(16-7-5-4-6-8-16)11-9-21(10-12-22)15-28(20(29)27-21)17-14-24-18(13-23)26-19(17)30-2/h4-8,17-18H,9-16,19-20H2,1-3H3,(H,30,36);3-7,16-17H,8-15,18H2,1-2H3,(H,28,33);2*4-8,14,25H,3,9-12,15H2,1-2H3,(H,27,29).

What are the key properties of 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate?

Where does this data come from?

All data for 8-(dimethylamino)-3-[2-(morpholine-4-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(5-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methoxypyrimidine-2-carbonitrile);methyl 2-[4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 158552945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).