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

C17H21FN4O — CID 109297311

IUPACN-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O/c1-3-12(2)21-16(23)15-9-11-20-17(22-15)19-10-8-13-4-6-14(18)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyZQBFCSVFFOLRFW-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.80
Rot. Bonds7

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

N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109297311) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109297311
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O/c1-3-12(2)21-16(23)15-9-11-20-17(22-15)19-10-8-13-4-6-14(18)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyZQBFCSVFFOLRFW-UHFFFAOYSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
N-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109362538
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308404
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109297372
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (CID 109297311) is N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is ZQBFCSVFFOLRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-12(2)21-16(23)15-9-11-20-17(22-15)19-10-8-13-4-6-14(18)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.80, 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-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109297311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).