N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

C18H23FN4O — CID 109362538

IUPACN-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C18H23FN4O/c1-4-12(2)21-18(24)16-11-17(23-13(3)22-16)20-10-9-14-5-7-15(19)8-6-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyCIDUFBNTOYQHST-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.11
Rot. Bonds7

About N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109362538) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109362538
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C18H23FN4O/c1-4-12(2)21-18(24)16-11-17(23-13(3)22-16)20-10-9-14-5-7-15(19)8-6-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyCIDUFBNTOYQHST-UHFFFAOYSA-N
XLogP3.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109362549
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109111575
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109297311
1-[4-[6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367835
6-[2-(4-fluorophenyl)ethylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109371899
N-butyl-6-[2-(4-fluorophenyl)ethylamino]-N,2-dimethylpyrimidine-4-carboxamide
CID 109371892
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364552
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369233
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686
N-butan-2-yl-6-[2-(4-chlorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340810

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109362538) is N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(NCCc2ccc(F)cc2)nc(C)n1.
What is the InChIKey of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is CIDUFBNTOYQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-4-12(2)21-18(24)16-11-17(23-13(3)22-16)20-10-9-14-5-7-15(19)8-6-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-butan-2-yl-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.11, 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-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).