1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid

C14H22N4O2 — CID 175245235

IUPAC1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(NC2(C(=O)O)CCCCC2)nc1N(C)C
InChIInChI=1S/C14H22N4O2/c1-10-9-15-13(16-11(10)18(2)3)17-14(12(19)20)7-5-4-6-8-14/h9H,4-8H2,1-3H3,(H,19,20)(H,15,16,17)
InChIKeyBBABTMOWCWFALP-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.05
Rot. Bonds4

About 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid

1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 175245235) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID175245235
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(NC2(C(=O)O)CCCCC2)nc1N(C)C
InChIInChI=1S/C14H22N4O2/c1-10-9-15-13(16-11(10)18(2)3)17-14(12(19)20)7-5-4-6-8-14/h9H,4-8H2,1-3H3,(H,19,20)(H,15,16,17)
InChIKeyBBABTMOWCWFALP-UHFFFAOYSA-N
XLogP2.05
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyrimidin-2-ylamino)cycloheptane-1-carboxylic acid
CID 61291427
1-[(5-nitropyrimidin-2-yl)amino]cycloheptane-1-carboxylic acid
CID 61292190
1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
CID 65452469
1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 143149941
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 135108611
2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95127438
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842
4-N,4-N,5-trimethyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 157018110
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
1-(4-cyano-3-methylanilino)cycloheptane-1-carboxylic acid
CID 81274418
4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 134700623

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid (CID 175245235) is 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid is Cc1cnc(NC2(C(=O)O)CCCCC2)nc1N(C)C.
What is the InChIKey of 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BBABTMOWCWFALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-9-15-13(16-11(10)18(2)3)17-14(12(19)20)7-5-4-6-8-14/h9H,4-8H2,1-3H3,(H,19,20)(H,15,16,17).
What are the key properties of 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid?
1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175245235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).