2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H26N4O3 — CID 70758504

IUPAC2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(C(=O)N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C19H26N4O3/c1-13-20-9-15(17(25)21-13)18(26)22-8-2-6-19(11-22)7-5-16(24)23(12-19)10-14-3-4-14/h9,14H,2-8,10-12H2,1H3,(H,20,21,25)
InChIKeyBVFSIBIOBHDQPS-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.33
Rot. Bonds3

About 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70758504) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70758504
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(C(=O)N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)c(=O)[nH]1
InChIInChI=1S/C19H26N4O3/c1-13-20-9-15(17(25)21-13)18(26)22-8-2-6-19(11-22)7-5-16(24)23(12-19)10-14-3-4-14/h9,14H,2-8,10-12H2,1H3,(H,20,21,25)
InChIKeyBVFSIBIOBHDQPS-UHFFFAOYSA-N
XLogP1.33
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72926419
(4aS*,8aR*)-6-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56885417
(6S)-2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96375489
2-[(2-Isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56751707
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
8-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70736617
2-(Cyclopropylmethyl)-8-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70786023
2-(cyclopropylmethyl)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one;methane
CID 157680862
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56760168
(4aS*,8aR*)-1-butyl-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56897289
2-cyclopropyl-5-{[4-(1-piperidinylcarbonyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 56902648
(4aS*,8aR*)-1-isobutyl-6-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56903942

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70758504) is 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ncc(C(=O)N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)c(=O)[nH]1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BVFSIBIOBHDQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-20-9-15(17(25)21-13)18(26)22-8-2-6-19(11-22)7-5-16(24)23(12-19)10-14-3-4-14/h9,14H,2-8,10-12H2,1H3,(H,20,21,25).
What are the key properties of 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70758504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).