N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide

C20H26FN5O — CID 109321429

IUPACN-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H26FN5O/c1-4-14(2)22-19(27)17-13-15(3)23-20(24-17)26-11-9-25(10-12-26)18-8-6-5-7-16(18)21/h5-8,13-14H,4,9-12H2,1-3H3,(H,22,27)
InChIKeyWESSKWYFIZMKLA-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.78
Rot. Bonds5

About N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide

N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109321429) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID109321429
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H26FN5O/c1-4-14(2)22-19(27)17-13-15(3)23-20(24-17)26-11-9-25(10-12-26)18-8-6-5-7-16(18)21/h5-8,13-14H,4,9-12H2,1-3H3,(H,22,27)
InChIKeyWESSKWYFIZMKLA-UHFFFAOYSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321427
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297335
N-butan-2-yl-6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109362561
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323148
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 112923684
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297333

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide (CID 109321429) is N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is WESSKWYFIZMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-4-14(2)22-19(27)17-13-15(3)23-20(24-17)26-11-9-25(10-12-26)18-8-6-5-7-16(18)21/h5-8,13-14H,4,9-12H2,1-3H3,(H,22,27).
What are the key properties of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide?
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).