6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C21H26N4S — CID 59276729

IUPAC6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3cc(CN4[C@H](C)CCC[C@@H]4C)sc3n2)c1
InChIInChI=1S/C21H26N4S/c1-13-6-4-9-16(10-13)20-23-19(22)18-11-17(26-21(18)24-20)12-25-14(2)7-5-8-15(25)3/h4,6,9-11,14-15H,5,7-8,12H2,1-3H3,(H2,22,23,24)/t14-,15+
InChIKeyDXBIKBPZWBKRPZ-GASCZTMLSA-N
MW366.53 g/mol
LogP5.01
Rot. Bonds3

About 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59276729) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59276729
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3cc(CN4[C@H](C)CCC[C@@H]4C)sc3n2)c1
InChIInChI=1S/C21H26N4S/c1-13-6-4-9-16(10-13)20-23-19(22)18-11-17(26-21(18)24-20)12-25-14(2)7-5-8-15(25)3/h4,6,9-11,14-15H,5,7-8,12H2,1-3H3,(H2,22,23,24)/t14-,15+
InChIKeyDXBIKBPZWBKRPZ-GASCZTMLSA-N
XLogP5.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 59276729) is 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cccc(-c2nc(N)c3cc(CN4[C@H](C)CCC[C@@H]4C)sc3n2)c1.
What is the InChIKey of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DXBIKBPZWBKRPZ-GASCZTMLSA-N. The full InChI is InChI=1S/C21H26N4S/c1-13-6-4-9-16(10-13)20-23-19(22)18-11-17(26-21(18)24-20)12-25-14(2)7-5-8-15(25)3/h4,6,9-11,14-15H,5,7-8,12H2,1-3H3,(H2,22,23,24)/t14-,15+.
What are the key properties of 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 366.53 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59276729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).