N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C17H21FN4 — CID 112891407

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2nccc(NCc3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H21FN4/c1-13-3-2-10-22(12-13)17-19-9-8-16(21-17)20-11-14-4-6-15(18)7-5-14/h4-9,13H,2-3,10-12H2,1H3,(H,19,20,21)
InChIKeyZYNUNWSHQYVTCX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112891407) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112891407
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2nccc(NCc3ccc(F)cc3)n2)C1
InChIInChI=1S/C17H21FN4/c1-13-3-2-10-22(12-13)17-19-9-8-16(21-17)20-11-14-4-6-15(18)7-5-14/h4-9,13H,2-3,10-12H2,1H3,(H,19,20,21)
InChIKeyZYNUNWSHQYVTCX-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888087
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 66903521
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112896931
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112891387
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112919450
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112891407) is N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCCN(c2nccc(NCc3ccc(F)cc3)n2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is ZYNUNWSHQYVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-13-3-2-10-22(12-13)17-19-9-8-16(21-17)20-11-14-4-6-15(18)7-5-14/h4-9,13H,2-3,10-12H2,1H3,(H,19,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 300.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112891407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).