9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H34N4O2 — CID 97116379

IUPAC9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1
InChIInChI=1S/C22H34N4O2/c1-16(2)19-13-20(24-17(3)23-19)25-10-8-22(9-11-25)7-6-21(27)26(15-22)14-18-5-4-12-28-18/h13,16,18H,4-12,14-15H2,1-3H3/t18-/m1/s1
InChIKeyDOYAAKNSDBZXNM-GOSISDBHSA-N
MW386.54 g/mol
LogP3.30
Rot. Bonds4

About 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97116379) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97116379
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1
InChIInChI=1S/C22H34N4O2/c1-16(2)19-13-20(24-17(3)23-19)25-10-8-22(9-11-25)7-6-21(27)26(15-22)14-18-5-4-12-28-18/h13,16,18H,4-12,14-15H2,1-3H3/t18-/m1/s1
InChIKeyDOYAAKNSDBZXNM-GOSISDBHSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97116379) is 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1.
What is the InChIKey of 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DOYAAKNSDBZXNM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16(2)19-13-20(24-17(3)23-19)25-10-8-22(9-11-25)7-6-21(27)26(15-22)14-18-5-4-12-28-18/h13,16,18H,4-12,14-15H2,1-3H3/t18-/m1/s1.
What are the key properties of 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 386.54 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97116379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).