2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide

C16H18Cl2N4O — CID 109332429

IUPAC2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N4O/c1-4-22(5-2)15(23)14-8-10(3)19-16(21-14)20-11-6-7-12(17)13(18)9-11/h6-9H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyIOWWRZHZOBFXTL-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.32
Rot. Bonds5

About 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide

2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109332429) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
PubChem CID109332429
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N4O/c1-4-22(5-2)15(23)14-8-10(3)19-16(21-14)20-11-6-7-12(17)13(18)9-11/h6-9H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyIOWWRZHZOBFXTL-UHFFFAOYSA-N
XLogP4.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332418
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778
2-(3,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320398
N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109332408
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
N-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673
2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338127

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide (CID 109332429) is 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is IOWWRZHZOBFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-4-22(5-2)15(23)14-8-10(3)19-16(21-14)20-11-6-7-12(17)13(18)9-11/h6-9H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).