4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid

C11H15ClN4O2 — CID 89127830

IUPAC4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
SMILESNC1CCC(Nc2nc(Cl)ncc2C(=O)O)CC1
InChIInChI=1S/C11H15ClN4O2/c12-11-14-5-8(10(17)18)9(16-11)15-7-3-1-6(13)2-4-7/h5-7H,1-4,13H2,(H,17,18)(H,14,15,16)
InChIKeyJHSCSXZCILWODG-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.51
Rot. Bonds3

About 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid

4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid (PubChem CID 89127830) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
PubChem CID89127830
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
SMILESNC1CCC(Nc2nc(Cl)ncc2C(=O)O)CC1
InChIInChI=1S/C11H15ClN4O2/c12-11-14-5-8(10(17)18)9(16-11)15-7-3-1-6(13)2-4-7/h5-7H,1-4,13H2,(H,17,18)(H,14,15,16)
InChIKeyJHSCSXZCILWODG-UHFFFAOYSA-N
XLogP1.51
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(cyclopropylamino)pyrimidine-5-carboxylic acid;cyclopropanamine;2,4-dichloropyrimidine-5-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158603759
[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
CID 162245679
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
2-chloro-4-[[6-(hydroxymethyl)spiro[3.3]heptan-2-yl]amino]pyrimidine-5-carboxylic acid
CID 156776378
methyl 2-chloro-4-(cyclobutylamino)pyrimidine-5-carboxylate
CID 135200676
2-chloro-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrimidine-5-carboxylic acid
CID 146273886
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
CID 135151263
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 106193759
2-chloro-N-cyclopropyl-5-nitropyrimidin-4-amine;cyclopropanamine;2,4-dichloro-5-nitropyrimidine;iodide
CID 158415225
2-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193249
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid (CID 89127830) is 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid is NC1CCC(Nc2nc(Cl)ncc2C(=O)O)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid?
The InChIKey is JHSCSXZCILWODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-11-14-5-8(10(17)18)9(16-11)15-7-3-1-6(13)2-4-7/h5-7H,1-4,13H2,(H,17,18)(H,14,15,16).
What are the key properties of 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid?
4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid is sourced from PubChem (CID 89127830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).