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

C16H19ClN4O — CID 109338491

IUPAC6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C16H19ClN4O/c1-2-8-19-16(22)14-10-15(21-11-20-14)18-9-7-12-3-5-13(17)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyRKMUONXSHVJAHN-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.92
Rot. Bonds7

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

6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide (PubChem CID 109338491) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
PubChem CID109338491
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C16H19ClN4O/c1-2-8-19-16(22)14-10-15(21-11-20-14)18-9-7-12-3-5-13(17)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyRKMUONXSHVJAHN-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340810
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-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide (CID 109338491) is 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(NCCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide?
The InChIKey is RKMUONXSHVJAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-8-19-16(22)14-10-15(21-11-20-14)18-9-7-12-3-5-13(17)6-4-12/h3-6,10-11H,2,7-9H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide?
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).