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

C20H24FN5O2 — CID 109300922

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H24FN5O2/c21-16-5-1-2-6-18(16)25-9-11-26(12-10-25)20-22-8-7-17(24-20)19(27)23-14-15-4-3-13-28-15/h1-2,5-8,15H,3-4,9-14H2,(H,23,27)
InChIKeyKYPKBPRXEFNPGZ-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.85
Rot. Bonds5

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109300922) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109300922
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H24FN5O2/c21-16-5-1-2-6-18(16)25-9-11-26(12-10-25)20-22-8-7-17(24-20)19(27)23-14-15-4-3-13-28-15/h1-2,5-8,15H,3-4,9-14H2,(H,23,27)
InChIKeyKYPKBPRXEFNPGZ-UHFFFAOYSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300968
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109300922) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1ccnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is KYPKBPRXEFNPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c21-16-5-1-2-6-18(16)25-9-11-26(12-10-25)20-22-8-7-17(24-20)19(27)23-14-15-4-3-13-28-15/h1-2,5-8,15H,3-4,9-14H2,(H,23,27).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).