2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C13H12Cl2N4O2 — CID 154628189

IUPAC2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1CNc1nc(Cl)ncc1C(N)=O
InChIInChI=1S/C13H12Cl2N4O2/c1-21-10-3-2-8(14)4-7(10)5-17-12-9(11(16)20)6-18-13(15)19-12/h2-4,6H,5H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyQUIMNVWTGALXBL-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.50
Rot. Bonds5

About 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 154628189) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID154628189
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1CNc1nc(Cl)ncc1C(N)=O
InChIInChI=1S/C13H12Cl2N4O2/c1-21-10-3-2-8(14)4-7(10)5-17-12-9(11(16)20)6-18-13(15)19-12/h2-4,6H,5H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyQUIMNVWTGALXBL-UHFFFAOYSA-N
XLogP2.50
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
2-chloro-N-[(2-methoxy-5-methylsulfonylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 90014650
[5-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271011
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide
CID 43705314
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773
4-chloro-2-methoxybenzamide
CID 19741766
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 154628189) is 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccc(Cl)cc1CNc1nc(Cl)ncc1C(N)=O.
What is the InChIKey of 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is QUIMNVWTGALXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c1-21-10-3-2-8(14)4-7(10)5-17-12-9(11(16)20)6-18-13(15)19-12/h2-4,6H,5H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154628189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).