5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid

C12H16ClN3O3 — CID 114219398

IUPAC5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NC(C)CCCC(=O)O)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O3/c1-7(4-3-5-10(17)18)14-11(19)9-6-8(2)15-12(13)16-9/h6-7H,3-5H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVRXMZSVLSMNCHU-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.81
Rot. Bonds6

About 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid

5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid (PubChem CID 114219398) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid
PubChem CID114219398
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid
SMILESCc1cc(C(=O)NC(C)CCCC(=O)O)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O3/c1-7(4-3-5-10(17)18)14-11(19)9-6-8(2)15-12(13)16-9/h6-7H,3-5H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVRXMZSVLSMNCHU-UHFFFAOYSA-N
XLogP1.81
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
CID 114219602
5-[(6-methylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855069
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 82846018
2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219490
2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 162574364
4-[(7-chloroquinoline-2-carbonyl)amino]pentanoic acid
CID 120534754
5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
CID 82846742
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid (CID 114219398) is 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid is Cc1cc(C(=O)NC(C)CCCC(=O)O)nc(Cl)n1.
What is the InChIKey of 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid?
The InChIKey is VRXMZSVLSMNCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-7(4-3-5-10(17)18)14-11(19)9-6-8(2)15-12(13)16-9/h6-7H,3-5H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid?
5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid has a molecular weight of 285.73 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylpyrimidine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114219398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).