N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide

C17H21ClN4O — CID 109340810

IUPACN-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C17H21ClN4O/c1-3-12(2)22-17(23)15-10-16(21-11-20-15)19-9-8-13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyQOSJJRRVJDETAQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.31
Rot. Bonds7

About N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide

N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109340810) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109340810
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC NameN-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C17H21ClN4O/c1-3-12(2)22-17(23)15-10-16(21-11-20-15)19-9-8-13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyQOSJJRRVJDETAQ-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340809
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
N-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109362538
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide (CID 109340810) is N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is QOSJJRRVJDETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-12(2)22-17(23)15-10-16(21-11-20-15)19-9-8-13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide?
N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109340810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).