2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide

C16H17ClN4O — CID 109247342

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C16H17ClN4O/c17-13-3-1-2-11(8-13)6-7-18-16-19-9-12(10-20-16)15(22)21-14-4-5-14/h1-3,8-10,14H,4-7H2,(H,21,22)(H,18,19,20)
InChIKeyRYUGCKUFAMXVON-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.68
Rot. Bonds6

About 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide (PubChem CID 109247342) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
PubChem CID109247342
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C16H17ClN4O/c17-13-3-1-2-11(8-13)6-7-18-16-19-9-12(10-20-16)15(22)21-14-4-5-14/h1-3,8-10,14H,4-7H2,(H,21,22)(H,18,19,20)
InChIKeyRYUGCKUFAMXVON-UHFFFAOYSA-N
XLogP2.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea
CID 113015835

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide (CID 109247342) is 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide is O=C(NC1CC1)c1cnc(NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide?
The InChIKey is RYUGCKUFAMXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-3-1-2-11(8-13)6-7-18-16-19-9-12(10-20-16)15(22)21-14-4-5-14/h1-3,8-10,14H,4-7H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109247342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).