1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid

C12H15ClN4O2 — CID 175476846

IUPAC1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCN2c1nccc(Cl)n1
InChIInChI=1S/C12H15ClN4O2/c13-9-1-5-14-10(15-9)17-8-4-12(17)2-6-16(7-3-12)11(18)19/h1,5H,2-4,6-8H2,(H,18,19)
InChIKeyLSAXWBPRQKDMNV-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.85
Rot. Bonds1

About 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid

1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 175476846) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID175476846
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCN2c1nccc(Cl)n1
InChIInChI=1S/C12H15ClN4O2/c13-9-1-5-14-10(15-9)17-8-4-12(17)2-6-16(7-3-12)11(18)19/h1,5H,2-4,6-8H2,(H,18,19)
InChIKeyLSAXWBPRQKDMNV-UHFFFAOYSA-N
XLogP1.85
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493640
4-(aminomethyl)-4-(6-chloro-2-pyridinyl)piperidine-1-carboxylic acid
CID 87152500
(2S)-1-(4-chloropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97166480
(4-methylphenyl)-[(4S)-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97397746
(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone
CID 118743671
2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553924
[1-(4-chloropyrimidin-2-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 87372576
pyridin-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843116
1-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]ethanone;1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]ethanone;2,4-dichloropyrimidine;1-piperazin-1-ylethanone
CID 159427161
4-fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 123247113
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 175476846) is 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CCN2c1nccc(Cl)n1.
What is the InChIKey of 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is LSAXWBPRQKDMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-9-1-5-14-10(15-9)17-8-4-12(17)2-6-16(7-3-12)11(18)19/h1,5H,2-4,6-8H2,(H,18,19).
What are the key properties of 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid?
1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloropyrimidin-2-yl)-1,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 175476846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).