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

C18H27N5O — CID 70756233

IUPAC9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)nc(N)n1
InChIInChI=1S/C18H27N5O/c1-13-10-15(21-17(19)20-13)22-8-6-18(7-9-22)5-4-16(24)23(12-18)11-14-2-3-14/h10,14H,2-9,11-12H2,1H3,(H2,19,20,21)
InChIKeyURIWAOKXEFOVCE-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.99
Rot. Bonds3

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

9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70756233) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70756233
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)nc(N)n1
InChIInChI=1S/C18H27N5O/c1-13-10-15(21-17(19)20-13)22-8-6-18(7-9-22)5-4-16(24)23(12-18)11-14-2-3-14/h10,14H,2-9,11-12H2,1H3,(H2,19,20,21)
InChIKeyURIWAOKXEFOVCE-UHFFFAOYSA-N
XLogP1.99
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70756233) is 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)nc(N)n1.
What is the InChIKey of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is URIWAOKXEFOVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-10-15(21-17(19)20-13)22-8-6-18(7-9-22)5-4-16(24)23(12-18)11-14-2-3-14/h10,14H,2-9,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 329.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70756233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).