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

C21H32N4O — CID 70757697

IUPAC2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1
InChIInChI=1S/C21H32N4O/c1-15(2)18-12-19(23-16(3)22-18)24-10-8-21(9-11-24)7-6-20(26)25(14-21)13-17-4-5-17/h12,15,17H,4-11,13-14H2,1-3H3
InChIKeyCRQPNZZJYLJOBV-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.53
Rot. Bonds4

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

2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70757697) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70757697
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1
InChIInChI=1S/C21H32N4O/c1-15(2)18-12-19(23-16(3)22-18)24-10-8-21(9-11-24)7-6-20(26)25(14-21)13-17-4-5-17/h12,15,17H,4-11,13-14H2,1-3H3
InChIKeyCRQPNZZJYLJOBV-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70757697) is 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CRQPNZZJYLJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-15(2)18-12-19(23-16(3)22-18)24-10-8-21(9-11-24)7-6-20(26)25(14-21)13-17-4-5-17/h12,15,17H,4-11,13-14H2,1-3H3.
What are the key properties of 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70757697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).