2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C26H34N6O2S — CID 41023752

IUPAC2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)Cc1nc(N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)c2c(C)c(C)sc2n1
InChIInChI=1S/C26H34N6O2S/c1-8-32(9-2)15-21-28-24(22-16(3)17(4)35-26(22)29-21)30-23(25-27-10-11-31(25)5)18-12-19(33-6)14-20(13-18)34-7/h10-14,23H,8-9,15H2,1-7H3,(H,28,29,30)/t23-/m0/s1
InChIKeyIEVHXMCECKUFPY-QHCPKHFHSA-N
MW494.67 g/mol
LogP5.10
Rot. Bonds10

About 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 41023752) has the molecular formula C26H34N6O2S and a molecular weight of 494.67 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID41023752
Molecular FormulaC26H34N6O2S
Molecular Weight494.67 g/mol
Exact Mass494.25
IUPAC Name2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)Cc1nc(N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)c2c(C)c(C)sc2n1
InChIInChI=1S/C26H34N6O2S/c1-8-32(9-2)15-21-28-24(22-16(3)17(4)35-26(22)29-21)30-23(25-27-10-11-31(25)5)18-12-19(33-6)14-20(13-18)34-7/h10-14,23H,8-9,15H2,1-7H3,(H,28,29,30)/t23-/m0/s1
InChIKeyIEVHXMCECKUFPY-QHCPKHFHSA-N
XLogP5.10
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97009077
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 86912462
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-nitro-1,3-benzothiazol-2-amine
CID 56554121
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 55573625
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119838058
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
1-(3,5-dimethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 119126640
5-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466261
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 55627297

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 41023752) is 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCN(CC)Cc1nc(N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IEVHXMCECKUFPY-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N6O2S/c1-8-32(9-2)15-21-28-24(22-16(3)17(4)35-26(22)29-21)30-23(25-27-10-11-31(25)5)18-12-19(33-6)14-20(13-18)34-7/h10-14,23H,8-9,15H2,1-7H3,(H,28,29,30)/t23-/m0/s1.
What are the key properties of 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 494.67 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 41023752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).