2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H22N6O — CID 119058655

IUPAC2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1ccnc(N2CCC3(CCCN(Cc4cccnc4)C3=O)C2)n1
InChIInChI=1S/C18H22N6O/c19-15-4-8-21-17(22-15)24-10-6-18(13-24)5-2-9-23(16(18)25)12-14-3-1-7-20-11-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H2,19,21,22)
InChIKeyANOHWIBVYRVDJI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 119058655) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID119058655
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1ccnc(N2CCC3(CCCN(Cc4cccnc4)C3=O)C2)n1
InChIInChI=1S/C18H22N6O/c19-15-4-8-21-17(22-15)24-10-6-18(13-24)5-2-9-23(16(18)25)12-14-3-1-7-20-11-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H2,19,21,22)
InChIKeyANOHWIBVYRVDJI-UHFFFAOYSA-N
XLogP1.47
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233209
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
(5R)-2-[(E)-2-methylbut-2-enyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26396599
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
9-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897204
7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472888
2-[(2-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45216412
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
2-[(2,5-dimethylphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45244514
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 119058655) is 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is Nc1ccnc(N2CCC3(CCCN(Cc4cccnc4)C3=O)C2)n1.
What is the InChIKey of 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ANOHWIBVYRVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c19-15-4-8-21-17(22-15)24-10-6-18(13-24)5-2-9-23(16(18)25)12-14-3-1-7-20-11-14/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H2,19,21,22).
What are the key properties of 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 338.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrimidin-2-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 119058655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).