5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine

C25H26N6O — CID 95837063

IUPAC5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C25H26N6O/c1-32-19-6-4-5-18(14-19)20-15-29-25(26)30-24(20)23-7-2-3-12-31(23)16-17-8-9-21-22(13-17)28-11-10-27-21/h4-6,8-11,13-15,23H,2-3,7,12,16H2,1H3,(H2,26,29,30)/t23-/m1/s1
InChIKeyJRCCMKWXKDJPSW-HSZRJFAPSA-N
MW426.52 g/mol
LogP4.40
Rot. Bonds5

About 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine

5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine (PubChem CID 95837063) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
PubChem CID95837063
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C25H26N6O/c1-32-19-6-4-5-18(14-19)20-15-29-25(26)30-24(20)23-7-2-3-12-31(23)16-17-8-9-21-22(13-17)28-11-10-27-21/h4-6,8-11,13-15,23H,2-3,7,12,16H2,1H3,(H2,26,29,30)/t23-/m1/s1
InChIKeyJRCCMKWXKDJPSW-HSZRJFAPSA-N
XLogP4.40
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine
CID 110266744
5-(3-chlorophenyl)-4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124939630
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
[(2S)-2-[2-amino-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methanone
CID 125003731
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95836937
5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837178
5-(3-methoxyphenyl)-N,N-dimethyl-4-[(2R)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 124951654
3-[2-amino-4-[(2R)-1-[[3-(2-fluorophenyl)phenyl]methyl]pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 129454927
5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95814820
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
5-(4-chlorophenyl)-4-[(2R)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837176
[(2R)-2-[2-amino-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 125024530

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine (CID 95837063) is 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine is COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccc3nccnc3c2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is JRCCMKWXKDJPSW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N6O/c1-32-19-6-4-5-18(14-19)20-15-29-25(26)30-24(20)23-7-2-3-12-31(23)16-17-8-9-21-22(13-17)28-11-10-27-21/h4-6,8-11,13-15,23H,2-3,7,12,16H2,1H3,(H2,26,29,30)/t23-/m1/s1.
What are the key properties of 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 426.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95837063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).