2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide

C18H22FN5O — CID 109295385

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H22FN5O/c1-13(2)21-17(25)15-7-8-20-18(22-15)24-11-9-23(10-12-24)16-6-4-3-5-14(16)19/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyXLTWIEHYPDDKQU-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109295385) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109295385
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H22FN5O/c1-13(2)21-17(25)15-7-8-20-18(22-15)24-11-9-23(10-12-24)16-6-4-3-5-14(16)19/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyXLTWIEHYPDDKQU-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297335
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299842
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300922
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295386
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
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112885713
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide (CID 109295385) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1ccnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is XLTWIEHYPDDKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-13(2)21-17(25)15-7-8-20-18(22-15)24-11-9-23(10-12-24)16-6-4-3-5-14(16)19/h3-8,13H,9-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).