4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine

C18H24N4O — CID 124951811

IUPAC4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc([C@@H]2CCCCN2Cc2ccc(OC)cc2)n1
InChIInChI=1S/C18H24N4O/c1-19-18-20-11-10-16(21-18)17-5-3-4-12-22(17)13-14-6-8-15(23-2)9-7-14/h6-11,17H,3-5,12-13H2,1-2H3,(H,19,20,21)/t17-/m0/s1
InChIKeyDKFFIMIDBABFCA-KRWDZBQOSA-N
MW312.42 g/mol
LogP3.25
Rot. Bonds5

About 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine

4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine (PubChem CID 124951811) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
PubChem CID124951811
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc([C@@H]2CCCCN2Cc2ccc(OC)cc2)n1
InChIInChI=1S/C18H24N4O/c1-19-18-20-11-10-16(21-18)17-5-3-4-12-22(17)13-14-6-8-15(23-2)9-7-14/h6-11,17H,3-5,12-13H2,1-2H3,(H,19,20,21)/t17-/m0/s1
InChIKeyDKFFIMIDBABFCA-KRWDZBQOSA-N
XLogP3.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 127244806
N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124967538
N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244826
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
N-methyl-4-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124966086
N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125015958
4-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124965793
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine (CID 124951811) is 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine is CNc1nccc([C@@H]2CCCCN2Cc2ccc(OC)cc2)n1.
What is the InChIKey of 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
The InChIKey is DKFFIMIDBABFCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-19-18-20-11-10-16(21-18)17-5-3-4-12-22(17)13-14-6-8-15(23-2)9-7-14/h6-11,17H,3-5,12-13H2,1-2H3,(H,19,20,21)/t17-/m0/s1.
What are the key properties of 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 124951811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).