6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine

C21H22FN5O — CID 112862333

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C21H22FN5O/c1-28-19-5-3-2-4-18(19)25-20-14-21(24-15-23-20)27-12-10-26(11-13-27)17-8-6-16(22)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyWHSRPUQNMCGOKF-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.69
Rot. Bonds5

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 112862333) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID112862333
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1Nc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C21H22FN5O/c1-28-19-5-3-2-4-18(19)25-20-14-21(24-15-23-20)27-12-10-26(11-13-27)17-8-6-16(22)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,23,24,25)
InChIKeyWHSRPUQNMCGOKF-UHFFFAOYSA-N
XLogP3.69
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
1-[4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112862340
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906
N-(2-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348977
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine (CID 112862333) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine is COc1ccccc1Nc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is WHSRPUQNMCGOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-28-19-5-3-2-4-18(19)25-20-14-21(24-15-23-20)27-12-10-26(11-13-27)17-8-6-16(22)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,23,24,25).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 379.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112862333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).