2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C16H23N5O3 — CID 72839967

IUPAC2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)Nc1cc(N2CCC3(CC2)NC(=O)CC3C(=O)O)ncn1
InChIInChI=1S/C16H23N5O3/c1-10(2)19-12-8-13(18-9-17-12)21-5-3-16(4-6-21)11(15(23)24)7-14(22)20-16/h8-11H,3-7H2,1-2H3,(H,20,22)(H,23,24)(H,17,18,19)
InChIKeyBWNSUESNLVPMJP-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.86
Rot. Bonds4

About 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid

2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72839967) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72839967
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)Nc1cc(N2CCC3(CC2)NC(=O)CC3C(=O)O)ncn1
InChIInChI=1S/C16H23N5O3/c1-10(2)19-12-8-13(18-9-17-12)21-5-3-16(4-6-21)11(15(23)24)7-14(22)20-16/h8-11H,3-7H2,1-2H3,(H,20,22)(H,23,24)(H,17,18,19)
InChIKeyBWNSUESNLVPMJP-UHFFFAOYSA-N
XLogP0.86
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

3-{1-[6-(Ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanoic acid
CID 90488011
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-4-YL}propanoic acid
CID 90488012
(3S*,4S*)-1-{6-[(2-hydroxyethyl)amino]-4-pyrimidinyl}-4-propyl-3-pyrrolidinecarboxylic acid
CID 72846552
8-(2-Amino-6-methylpyrimidin-4-YL)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72860015
(3aS*,7aR*)-2-{6-[(2-hydroxyethyl)amino]-4-pyrimidinyl}-5-methyloctahydro-3aH-pyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 72910293
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
8-(6-Cyclopropyl-4-pyrimidinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72934677
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
8-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72876461
(4S)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195439
(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195440
1-Pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-6-carboxylic acid
CID 123615540

Frequently Asked Questions

What is the IUPAC name of 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72839967) is 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CC(C)Nc1cc(N2CCC3(CC2)NC(=O)CC3C(=O)O)ncn1.
What is the InChIKey of 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is BWNSUESNLVPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10(2)19-12-8-13(18-9-17-12)21-5-3-16(4-6-21)11(15(23)24)7-14(22)20-16/h8-11H,3-7H2,1-2H3,(H,20,22)(H,23,24)(H,17,18,19).
What are the key properties of 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72839967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).