2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C22H25FN6 — CID 112895579

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1ccnc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H25FN6/c1-27(13-9-18-6-10-24-11-7-18)21-8-12-25-22(26-21)29-16-14-28(15-17-29)20-4-2-19(23)3-5-20/h2-8,10-12H,9,13-17H2,1H3
InChIKeyLLJINNCWSPREHZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.02
Rot. Bonds6

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 112895579) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID112895579
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1ccnc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H25FN6/c1-27(13-9-18-6-10-24-11-7-18)21-8-12-25-22(26-21)29-16-14-28(15-17-29)20-4-2-19(23)3-5-20/h2-8,10-12H,9,13-17H2,1H3
InChIKeyLLJINNCWSPREHZ-UHFFFAOYSA-N
XLogP3.02
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112886568
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112895671
N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909455
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026004
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 112954567
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848
N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112861788
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 112895579) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is CN(CCc1ccncc1)c1ccnc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is LLJINNCWSPREHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c1-27(13-9-18-6-10-24-11-7-18)21-8-12-25-22(26-21)29-16-14-28(15-17-29)20-4-2-19(23)3-5-20/h2-8,10-12H,9,13-17H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 392.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112895579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).