6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide

C14H12Cl2N4O — CID 109339792

IUPAC6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-6-17-14(21)11-7-12(19-8-18-11)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,21)(H,18,19,20)
InChIKeyLVOIBFMPFCVNOW-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.44
Rot. Bonds5

About 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide

6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109339792) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109339792
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ncn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-6-17-14(21)11-7-12(19-8-18-11)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,21)(H,18,19,20)
InChIKeyLVOIBFMPFCVNOW-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
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

N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
6-[4-chloro-3-(trifluoromethyl)anilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339784
6-(2,6-dichloroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358034
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109339802
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
6-(2,6-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359684
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109339792) is 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2c(Cl)cccc2Cl)ncn1.
What is the InChIKey of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is LVOIBFMPFCVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-2-6-17-14(21)11-7-12(19-8-18-11)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,21)(H,18,19,20).
What are the key properties of 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109339792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).