2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide

C16H17FN4O — CID 109295559

IUPAC2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(NC2CC2)n1
InChIInChI=1S/C16H17FN4O/c17-12-3-1-11(2-4-12)7-9-18-15(22)14-8-10-19-16(21-14)20-13-5-6-13/h1-4,8,10,13H,5-7,9H2,(H,18,22)(H,19,20,21)
InChIKeyVIJAHBCQZXODOB-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.16
Rot. Bonds6

About 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide

2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109295559) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109295559
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(NC2CC2)n1
InChIInChI=1S/C16H17FN4O/c17-12-3-1-11(2-4-12)7-9-18-15(22)14-8-10-19-16(21-14)20-13-5-6-13/h1-4,8,10,13H,5-7,9H2,(H,18,22)(H,19,20,21)
InChIKeyVIJAHBCQZXODOB-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109109833
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297501
2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109295590
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
2-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308543
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109295559) is 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccnc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is VIJAHBCQZXODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-12-3-1-11(2-4-12)7-9-18-15(22)14-8-10-19-16(21-14)20-13-5-6-13/h1-4,8,10,13H,5-7,9H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).