(5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one

C12H16ClN5O — CID 164632559

IUPAC(5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one
SMILESNc1ncnc(N2CCC[C@]3(CNC(=O)C3)C2)c1Cl
InChIInChI=1S/C12H16ClN5O/c13-9-10(14)16-7-17-11(9)18-3-1-2-12(6-18)4-8(19)15-5-12/h7H,1-6H2,(H,15,19)(H2,14,16,17)/t12-/m0/s1
InChIKeyXGPHQFVSDPRRHX-LBPRGKRZSA-N
MW281.75 g/mol
LogP0.82
Rot. Bonds1

About (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one

(5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 164632559) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one
PubChem CID164632559
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name(5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one
SMILESNc1ncnc(N2CCC[C@]3(CNC(=O)C3)C2)c1Cl
InChIInChI=1S/C12H16ClN5O/c13-9-10(14)16-7-17-11(9)18-3-1-2-12(6-18)4-8(19)15-5-12/h7H,1-6H2,(H,15,19)(H2,14,16,17)/t12-/m0/s1
InChIKeyXGPHQFVSDPRRHX-LBPRGKRZSA-N
XLogP0.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pyrimidin-4-amine
CID 53188558
3-[1-[6-(Propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53188596
N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
CID 119035683
2-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940646
(5R)-2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156757
(5S)-2-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156758
3-(5-Chloropyrimidin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56710411
4-[[(6-Amino-5-chloro-4-pyrimidinyl)amino]methyl]-2-piperidinone
CID 71092836
N-[3-[(2,5-dichloropyrimidin-4-yl)amino]propyl]-1-methylpiperidine-4-carboxamide
CID 118973734
1-[3-[(2-Amino-5-chloropyrimidin-4-yl)amino]propyl]-5,5-dimethylpyrrolidin-2-one
CID 155299213
8-[6-(Isopropylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 50985334
1-(6-chloro-5-methylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 55228922

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one (CID 164632559) is (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one is Nc1ncnc(N2CCC[C@]3(CNC(=O)C3)C2)c1Cl.
What is the InChIKey of (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is XGPHQFVSDPRRHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClN5O/c13-9-10(14)16-7-17-11(9)18-3-1-2-12(6-18)4-8(19)15-5-12/h7H,1-6H2,(H,15,19)(H2,14,16,17)/t12-/m0/s1.
What are the key properties of (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one?
(5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 281.75 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 164632559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).