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

C21H32N4O — CID 70775298

IUPAC2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1
InChIInChI=1S/C21H32N4O/c1-3-4-18-22-16(2)13-19(23-18)24-11-9-21(10-12-24)8-7-20(26)25(15-21)14-17-5-6-17/h13,17H,3-12,14-15H2,1-2H3
InChIKeyDYRXRPZRGDPHCE-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.36
Rot. Bonds5

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

2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70775298) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70775298
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1
InChIInChI=1S/C21H32N4O/c1-3-4-18-22-16(2)13-19(23-18)24-11-9-21(10-12-24)8-7-20(26)25(15-21)14-17-5-6-17/h13,17H,3-12,14-15H2,1-2H3
InChIKeyDYRXRPZRGDPHCE-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70775298) is 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DYRXRPZRGDPHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-4-18-22-16(2)13-19(23-18)24-11-9-21(10-12-24)8-7-20(26)25(15-21)14-17-5-6-17/h13,17H,3-12,14-15H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70775298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).