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

C18H23FN4 — CID 112910692

IUPACN-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCC(C)CC2)nc(NCc2ccccc2F)n1
InChIInChI=1S/C18H23FN4/c1-13-7-9-23(10-8-13)17-11-14(2)21-18(22-17)20-12-15-5-3-4-6-16(15)19/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyNGQFOJPKWSGCSB-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.77
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112910692) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112910692
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCC(C)CC2)nc(NCc2ccccc2F)n1
InChIInChI=1S/C18H23FN4/c1-13-7-9-23(10-8-13)17-11-14(2)21-18(22-17)20-12-15-5-3-4-6-16(15)19/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyNGQFOJPKWSGCSB-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909263
N-[2-(2-fluorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910002
N-(2,6-diethylphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910772
4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
CID 78899337
1-[6-methyl-2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194099
N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112910679
1-(2-fluorophenyl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295051
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942765
N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909254
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112917640

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112910692) is N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCC(C)CC2)nc(NCc2ccccc2F)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is NGQFOJPKWSGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-13-7-9-23(10-8-13)17-11-14(2)21-18(22-17)20-12-15-5-3-4-6-16(15)19/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112910692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).