N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide

C18H23ClN4O — CID 109352334

IUPACN-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H23ClN4O/c1-3-4-11-23(2)18(24)16-12-17(22-13-21-16)20-10-9-14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21,22)
InChIKeyBPKFINWXJQQALL-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.66
Rot. Bonds8

About N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide

N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide (PubChem CID 109352334) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
PubChem CID109352334
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H23ClN4O/c1-3-4-11-23(2)18(24)16-12-17(22-13-21-16)20-10-9-14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21,22)
InChIKeyBPKFINWXJQQALL-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109352286
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112862527
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340810
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
N-butyl-6-[2-(4-fluorophenyl)ethylamino]-N,2-dimethylpyrimidine-4-carboxamide
CID 109371892
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
CID 109348691
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide (CID 109352334) is N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The InChIKey is BPKFINWXJQQALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-3-4-11-23(2)18(24)16-12-17(22-13-21-16)20-10-9-14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109352334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).