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

C15H23N5O2 — CID 97131242

IUPAC(5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)Oc1cc(N2CC[C@@]3(CCCNC3=O)C2)nc(N)n1
InChIInChI=1S/C15H23N5O2/c1-10(2)22-12-8-11(18-14(16)19-12)20-7-5-15(9-20)4-3-6-17-13(15)21/h8,10H,3-7,9H2,1-2H3,(H,17,21)(H2,16,18,19)/t15-/m0/s1
InChIKeyCXNCNWQAECOHTP-HNNXBMFYSA-N
MW305.38 g/mol
LogP0.95
Rot. Bonds3

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

(5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97131242) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97131242
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)Oc1cc(N2CC[C@@]3(CCCNC3=O)C2)nc(N)n1
InChIInChI=1S/C15H23N5O2/c1-10(2)22-12-8-11(18-14(16)19-12)20-7-5-15(9-20)4-3-6-17-13(15)21/h8,10H,3-7,9H2,1-2H3,(H,17,21)(H2,16,18,19)/t15-/m0/s1
InChIKeyCXNCNWQAECOHTP-HNNXBMFYSA-N
XLogP0.95
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97188747
(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95870692
(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530
N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50982057
9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 134071339
4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 134696150
(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
CID 50968139
(5S)-2-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97152335
7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 140585780
1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
CID 72839277
9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 131649510
(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97112209

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97131242) is (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)Oc1cc(N2CC[C@@]3(CCCNC3=O)C2)nc(N)n1.
What is the InChIKey of (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CXNCNWQAECOHTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10(2)22-12-8-11(18-14(16)19-12)20-7-5-15(9-20)4-3-6-17-13(15)21/h8,10H,3-7,9H2,1-2H3,(H,17,21)(H2,16,18,19)/t15-/m0/s1.
What are the key properties of (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 305.38 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97131242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).