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

C22H24FN5 — CID 112858906

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1CNc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C22H24FN5/c1-17-4-2-3-5-18(17)15-24-21-14-22(26-16-25-21)28-12-10-27(11-13-28)20-8-6-19(23)7-9-20/h2-9,14,16H,10-13,15H2,1H3,(H,24,25,26)
InChIKeyNXBBUIGGQBMNQC-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.86
Rot. Bonds5

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

6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 112858906) has the molecular formula C22H24FN5 and a molecular weight of 377.47 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID112858906
Molecular FormulaC22H24FN5
Molecular Weight377.47 g/mol
Exact Mass377.20
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1CNc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C22H24FN5/c1-17-4-2-3-5-18(17)15-24-21-14-22(26-16-25-21)28-12-10-27(11-13-28)20-8-6-19(23)7-9-20/h2-9,14,16H,10-13,15H2,1H3,(H,24,25,26)
InChIKeyNXBBUIGGQBMNQC-UHFFFAOYSA-N
XLogP3.86
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909931
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858927
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 112862333
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 115416249
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (CID 112858906) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is Cc1ccccc1CNc1cc(N2CCN(c3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is NXBBUIGGQBMNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5/c1-17-4-2-3-5-18(17)15-24-21-14-22(26-16-25-21)28-12-10-27(11-13-28)20-8-6-19(23)7-9-20/h2-9,14,16H,10-13,15H2,1H3,(H,24,25,26).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 377.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 112858906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).