2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid

C11H12ClN3O3 — CID 114219365

IUPAC2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)nc(Cl)n1
InChIInChI=1S/C11H12ClN3O3/c1-6-4-8(14-11(12)13-6)10(18)15(5-9(16)17)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,16,17)
InChIKeyMJGLZFABXIPBGQ-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.13
Rot. Bonds4

About 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid

2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 114219365) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
PubChem CID114219365
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)nc(Cl)n1
InChIInChI=1S/C11H12ClN3O3/c1-6-4-8(14-11(12)13-6)10(18)15(5-9(16)17)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,16,17)
InChIKeyMJGLZFABXIPBGQ-UHFFFAOYSA-N
XLogP1.13
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,6-dimethylpyrimidine-4-carboxamide
CID 88855458
2-(diethylamino)-N-(2-hydroxyethyl)-6-methylpyrimidine-4-carboxamide
CID 60182005
2-(dimethylamino)-6-methyl-N-(propan-2-yl)pyrimidine-4-carboxamide
CID 60182045
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methanone
CID 95556432
(3S)-4-(2,6-dimethylpyrimidine-4-carbonyl)-1-ethyl-3-methylpiperazin-2-one
CID 100020176
N-[2-(dimethylamino)ethyl]-N-ethyl-2,6-dimethylpyrimidine-4-carboxamide
CID 131899429
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131913491
2-[[6-(Trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid
CID 154159367
(2-Chloro-6-methylpyrimidin-4-yl)(piperidin-1-yl)methanone
CID 102538212
2-[[6-Methyl-2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid
CID 110836377
2-chloro-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 114219499
2-chloro-6-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 114219506

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid (CID 114219365) is 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)C2CC2)nc(Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is MJGLZFABXIPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-6-4-8(14-11(12)13-6)10(18)15(5-9(16)17)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid?
2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 269.69 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 114219365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).