2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide

C14H14Cl2N4O — CID 109295101

IUPAC2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N4O/c1-2-6-17-13(21)12-5-7-18-14(20-12)19-9-3-4-10(15)11(16)8-9/h3-5,7-8H,2,6H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNQGNBDLCJNTVRL-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.67
Rot. Bonds5

About 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide

2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109295101) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109295101
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N4O/c1-2-6-17-13(21)12-5-7-18-14(20-12)19-9-3-4-10(15)11(16)8-9/h3-5,7-8H,2,6H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNQGNBDLCJNTVRL-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312180
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
2-(4-chloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312120
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide (CID 109295101) is 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is NQGNBDLCJNTVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-2-6-17-13(21)12-5-7-18-14(20-12)19-9-3-4-10(15)11(16)8-9/h3-5,7-8H,2,6H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide?
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).