N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide

C10H11ClN6O2 — CID 114053506

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide
SMILESCOc1cc(Cl)nc(NC(=O)CCn2ccnn2)n1
InChIInChI=1S/C10H11ClN6O2/c1-19-9-6-7(11)13-10(15-9)14-8(18)2-4-17-5-3-12-16-17/h3,5-6H,2,4H2,1H3,(H,13,14,15,18)
InChIKeyRYERMFDRYRLGOH-UHFFFAOYSA-N
MW282.69 g/mol
LogP0.76
Rot. Bonds5

About N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 114053506) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID114053506
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide
SMILESCOc1cc(Cl)nc(NC(=O)CCn2ccnn2)n1
InChIInChI=1S/C10H11ClN6O2/c1-19-9-6-7(11)13-10(15-9)14-8(18)2-4-17-5-3-12-16-17/h3,5-6H,2,4H2,1H3,(H,13,14,15,18)
InChIKeyRYERMFDRYRLGOH-UHFFFAOYSA-N
XLogP0.76
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
CID 114052879
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
CID 106114275
N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 114053520
N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
CID 102820490
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
5-methyl-2-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28791181
N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61128800
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide (CID 114053506) is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide is COc1cc(Cl)nc(NC(=O)CCn2ccnn2)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is RYERMFDRYRLGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-19-9-6-7(11)13-10(15-9)14-8(18)2-4-17-5-3-12-16-17/h3,5-6H,2,4H2,1H3,(H,13,14,15,18).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 282.69 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 114053506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).