N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide

C14H12Cl2N4O — CID 109339399

IUPACN-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C14H12Cl2N4O/c15-9-2-1-3-10(16)13(9)20-12-6-11(17-7-18-12)14(21)19-8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21)(H,17,18,20)
InChIKeyYRGGMUYTKSXMSN-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.42
Rot. Bonds4

About N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide

N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109339399) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109339399
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC NameN-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C14H12Cl2N4O/c15-9-2-1-3-10(16)13(9)20-12-6-11(17-7-18-12)14(21)19-8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21)(H,17,18,20)
InChIKeyYRGGMUYTKSXMSN-UHFFFAOYSA-N
XLogP3.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109339385
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
N-cyclopropyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109110170
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
CID 109339391
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide (CID 109339399) is N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide is O=C(NC1CC1)c1cc(Nc2c(Cl)cccc2Cl)ncn1.
What is the InChIKey of N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is YRGGMUYTKSXMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c15-9-2-1-3-10(16)13(9)20-12-6-11(17-7-18-12)14(21)19-8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21)(H,17,18,20).
What are the key properties of N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide?
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).