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

C19H24FN5O — CID 109297335

IUPACN-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H24FN5O/c1-3-14(2)22-18(26)16-8-9-21-19(23-16)25-12-10-24(11-13-25)17-7-5-4-6-15(17)20/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)
InChIKeyWERFRTFOCBJETG-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.47
Rot. Bonds5

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

N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109297335) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109297335
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H24FN5O/c1-3-14(2)22-18(26)16-8-9-21-19(23-16)25-12-10-24(11-13-25)17-7-5-4-6-15(17)20/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)
InChIKeyWERFRTFOCBJETG-UHFFFAOYSA-N
XLogP2.47
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297333
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321429
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299842
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
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-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300922
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109297335) is N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is WERFRTFOCBJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-3-14(2)22-18(26)16-8-9-21-19(23-16)25-12-10-24(11-13-25)17-7-5-4-6-15(17)20/h4-9,14H,3,10-13H2,1-2H3,(H,22,26).
What are the key properties of N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.47, 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]pyrimidine-4-carboxamide is sourced from PubChem (CID 109297335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).