8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H26N4O2 — CID 56915661

IUPAC8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1nc(C)cc(N2CCC3(CC2)CNC(C(=O)O)C3)n1
InChIInChI=1S/C17H26N4O2/c1-3-4-14-19-12(2)9-15(20-14)21-7-5-17(6-8-21)10-13(16(22)23)18-11-17/h9,13,18H,3-8,10-11H2,1-2H3,(H,22,23)
InChIKeyNCOYRPSDGUZUTO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.77
Rot. Bonds4

About 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56915661) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56915661
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1nc(C)cc(N2CCC3(CC2)CNC(C(=O)O)C3)n1
InChIInChI=1S/C17H26N4O2/c1-3-4-14-19-12(2)9-15(20-14)21-7-5-17(6-8-21)10-13(16(22)23)18-11-17/h9,13,18H,3-8,10-11H2,1-2H3,(H,22,23)
InChIKeyNCOYRPSDGUZUTO-UHFFFAOYSA-N
XLogP1.77
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S*,4S*)-4-cyclopropyl-1-[4-methyl-6-(methylamino)-2-pyrimidinyl]-3-pyrrolidinecarboxylic acid
CID 72934948
8-(6-Cyclopropyl-4-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901714
8-[5,6-Dimethyl-2-(trifluoromethyl)-4-pyrimidinyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56911858
N-{2-[(2-butyl-6-methyl-4-pyrimidinyl)amino]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892424
8-(2-Methyl-5-propyl-4-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899484
3-{(3R*,4S*)-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-4-morpholin-4-ylpiperidin-3-yl}propanoic acid
CID 72854959
4-(Cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864982
8-[6-Isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892118
(2S)-2-cyclohexyl-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 93443659
(3S)-2-acetyl-8-(2-methyl-6-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95713390
(3S)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95716613
(3S)-8-(5,6-dimethylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95726473

Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56915661) is 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCc1nc(C)cc(N2CCC3(CC2)CNC(C(=O)O)C3)n1.
What is the InChIKey of 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is NCOYRPSDGUZUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-4-14-19-12(2)9-15(20-14)21-7-5-17(6-8-21)10-13(16(22)23)18-11-17/h9,13,18H,3-8,10-11H2,1-2H3,(H,22,23).
What are the key properties of 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methyl-2-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56915661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).