N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine

C22H21N3O2S — CID 91965180

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)nc3sc(C)cc23)c(OC)c1
InChIInChI=1S/C22H21N3O2S/c1-14-11-18-21(23-13-16-9-10-17(26-2)12-19(16)27-3)24-20(25-22(18)28-14)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,24,25)
InChIKeyMECYUQNMBKXMTK-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.30
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965180) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965180
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)nc3sc(C)cc23)c(OC)c1
InChIInChI=1S/C22H21N3O2S/c1-14-11-18-21(23-13-16-9-10-17(26-2)12-19(16)27-3)24-20(25-22(18)28-14)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,24,25)
InChIKeyMECYUQNMBKXMTK-UHFFFAOYSA-N
XLogP5.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965182
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
N-[(2,4-dimethoxyphenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354956
6-methyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460517
N-(3-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690984
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine
CID 64981044
N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965124

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine (CID 91965180) is N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(-c3ccccc3)nc3sc(C)cc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MECYUQNMBKXMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14-11-18-21(23-13-16-9-10-17(26-2)12-19(16)27-3)24-20(25-22(18)28-14)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,23,24,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 391.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).