N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

C19H18FN7O — CID 109262320

IUPACN-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C19H18FN7O/c20-15-4-1-2-5-16(15)25-17(28)14-12-23-19(24-13-14)27-10-8-26(9-11-27)18-21-6-3-7-22-18/h1-7,12-13H,8-11H2,(H,25,28)
InChIKeyHELHXVPSMKHFLX-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.98
Rot. Bonds4

About N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109262320) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109262320
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC NameN-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C19H18FN7O/c20-15-4-1-2-5-16(15)25-17(28)14-12-23-19(24-13-14)27-10-8-26(9-11-27)18-21-6-3-7-22-18/h1-7,12-13H,8-11H2,(H,25,28)
InChIKeyHELHXVPSMKHFLX-UHFFFAOYSA-N
XLogP1.98
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
[2-(2-fluoroanilino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109262279
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253915
N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
2-(4-formylpiperazin-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109254513
1-(2-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790143
N-(2-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345531
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109262320) is N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is O=C(Nc1ccccc1F)c1cnc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is HELHXVPSMKHFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c20-15-4-1-2-5-16(15)25-17(28)14-12-23-19(24-13-14)27-10-8-26(9-11-27)18-21-6-3-7-22-18/h1-7,12-13H,8-11H2,(H,25,28).
What are the key properties of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).