N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide

C18H23ClN4O — CID 109373286

IUPACN-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCCc2cccc(Cl)c2)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-4-23(5-2)17-12-16(21-13(3)22-17)18(24)20-10-9-14-7-6-8-15(19)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyYCJKBTKJGHRABC-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109373286) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109373286
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCCc2cccc(Cl)c2)nc(C)n1
InChIInChI=1S/C18H23ClN4O/c1-4-23(5-2)17-12-16(21-13(3)22-17)18(24)20-10-9-14-7-6-8-15(19)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyYCJKBTKJGHRABC-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
CID 109196611
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide (CID 109373286) is N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)NCCc2cccc(Cl)c2)nc(C)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YCJKBTKJGHRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-4-23(5-2)17-12-16(21-13(3)22-17)18(24)20-10-9-14-7-6-8-15(19)11-14/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).