N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

C19H17F2N7O — CID 109310649

IUPACN-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C19H17F2N7O/c20-13-3-1-4-14(21)16(13)26-17(29)15-5-8-24-19(25-15)28-11-9-27(10-12-28)18-22-6-2-7-23-18/h1-8H,9-12H2,(H,26,29)
InChIKeyAANPSQSFUUMVTI-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.12
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109310649) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109310649
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC NameN-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C19H17F2N7O/c20-13-3-1-4-14(21)16(13)26-17(29)15-5-8-24-19(25-15)28-11-9-27(10-12-28)18-22-6-2-7-23-18/h1-8H,9-12H2,(H,26,29)
InChIKeyAANPSQSFUUMVTI-UHFFFAOYSA-N
XLogP2.12
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308085
N-(2,6-dichlorophenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302813
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302442
N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109307879
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109302379
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109310649) is N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is O=C(Nc1c(F)cccc1F)c1ccnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is AANPSQSFUUMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-13-3-1-4-14(21)16(13)26-17(29)15-5-8-24-19(25-15)28-11-9-27(10-12-28)18-22-6-2-7-23-18/h1-8H,9-12H2,(H,26,29).
What are the key properties of N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).