N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C14H12Cl2N4O — CID 109339596

IUPACN-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-6-17-12-7-11(18-8-19-12)14(21)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,20,21)(H,17,18,19)
InChIKeyPVEWYTYXASMAKV-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.63
Rot. Bonds5

About N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide

N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109339596) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109339596
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC NameN-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-6-17-12-7-11(18-8-19-12)14(21)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,20,21)(H,17,18,19)
InChIKeyPVEWYTYXASMAKV-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339792
N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272324
N-(4-propan-2-ylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339520
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512
N-(4-bromo-3-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339579
N-(2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339549
N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339420
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109339596) is N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)Nc2c(Cl)cccc2Cl)ncn1.
What is the InChIKey of N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is PVEWYTYXASMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-2-6-17-12-7-11(18-8-19-12)14(21)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).