8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H25N5O3 — CID 56892041

IUPAC8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)nc1N
InChIInChI=1S/C18H25N5O3/c1-11-9-20-17(21-14(11)19)22-6-4-18(5-7-22)8-13(16(25)26)23(10-18)15(24)12-2-3-12/h9,12-13H,2-8,10H2,1H3,(H,25,26)(H2,19,20,21)
InChIKeyUAXYNNZXDCLOFV-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.05
Rot. Bonds3

About 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56892041) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56892041
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)nc1N
InChIInChI=1S/C18H25N5O3/c1-11-9-20-17(21-14(11)19)22-6-4-18(5-7-22)8-13(16(25)26)23(10-18)15(24)12-2-3-12/h9,12-13H,2-8,10H2,1H3,(H,25,26)(H2,19,20,21)
InChIKeyUAXYNNZXDCLOFV-UHFFFAOYSA-N
XLogP1.05
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(5-Fluoro-2-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56890794
2-Acetyl-8-[(2-amino-5-pyrimidinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72898465
8-(4-Amino-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887185
8-(2-Methyl-5-propyl-4-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899484
2-Acetyl-8-(2-pyrimidinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72890690
(3S)-2-acetyl-8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95723544
(3S)-8-(5-propan-2-ylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95725537
(3S)-8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873082
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 170632031
8-(5-Fluoro-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887373
2-Acetyl-8-(5-fluoro-2-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56914310

Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56892041) is 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)nc1N.
What is the InChIKey of 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is UAXYNNZXDCLOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11-9-20-17(21-14(11)19)22-6-4-18(5-7-22)8-13(16(25)26)23(10-18)15(24)12-2-3-12/h9,12-13H,2-8,10H2,1H3,(H,25,26)(H2,19,20,21).
What are the key properties of 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-amino-5-methylpyrimidin-2-yl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56892041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).