N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

C23H26FN5 — CID 112874788

IUPACN-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)nc(C)n2)c(C)c1
InChIInChI=1S/C23H26FN5/c1-16-4-9-21(17(2)14-16)27-22-15-23(26-18(3)25-22)29-12-10-28(11-13-29)20-7-5-19(24)6-8-20/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27)
InChIKeyLIDIJKZNQVLLPT-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.61
Rot. Bonds4

About N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine

N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (PubChem CID 112874788) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
PubChem CID112874788
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC NameN-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)nc(C)n2)c(C)c1
InChIInChI=1S/C23H26FN5/c1-16-4-9-21(17(2)14-16)27-22-15-23(26-18(3)25-22)29-12-10-28(11-13-29)20-7-5-19(24)6-8-20/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27)
InChIKeyLIDIJKZNQVLLPT-UHFFFAOYSA-N
XLogP4.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112874812
1-[6-(2,4-dimethylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193605
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
N-(4-bromo-2-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870794
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
N-(4-bromo-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870959
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112878913
2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112874738
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine (CID 112874788) is N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is Cc1ccc(Nc2cc(N3CCN(c4ccc(F)cc4)CC3)nc(C)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
The InChIKey is LIDIJKZNQVLLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-16-4-9-21(17(2)14-16)27-22-15-23(26-18(3)25-22)29-12-10-28(11-13-29)20-7-5-19(24)6-8-20/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27).
What are the key properties of N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine?
N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112874788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).