4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

C17H22N4O — CID 95844879

IUPAC4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCOc1cccc(CN2CCCC[C@@H]2c2ccnc(N)n2)c1
InChIInChI=1S/C17H22N4O/c1-22-14-6-4-5-13(11-14)12-21-10-3-2-7-16(21)15-8-9-19-17(18)20-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,18,19,20)/t16-/m1/s1
InChIKeyNAMSJHWWXRBLER-MRXNPFEDSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds4

About 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 95844879) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID95844879
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCOc1cccc(CN2CCCC[C@@H]2c2ccnc(N)n2)c1
InChIInChI=1S/C17H22N4O/c1-22-14-6-4-5-13(11-14)12-21-10-3-2-7-16(21)15-8-9-19-17(18)20-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,18,19,20)/t16-/m1/s1
InChIKeyNAMSJHWWXRBLER-MRXNPFEDSA-N
XLogP2.79
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95845166
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244815
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124953664
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124951811
5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 95837063
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
(2S)-2-(4-chloro-1-methylpyrazol-5-yl)-1-[(3-methoxyphenyl)methyl]azepane
CID 92565979
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 127244806

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 95844879) is 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is COc1cccc(CN2CCCC[C@@H]2c2ccnc(N)n2)c1.
What is the InChIKey of 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is NAMSJHWWXRBLER-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O/c1-22-14-6-4-5-13(11-14)12-21-10-3-2-7-16(21)15-8-9-19-17(18)20-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H2,18,19,20)/t16-/m1/s1.
What are the key properties of 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95844879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).