N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine

C20H17N3O2S — CID 42628931

IUPACN-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3scc(-c4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C20H17N3O2S/c1-24-14-8-9-16(17(10-14)25-2)22-20-21-11-18-19(23-20)15(12-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyXDPJRGCCJOHFKO-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.12
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine

N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 42628931) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
PubChem CID42628931
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(Nc2ncc3scc(-c4ccccc4)c3n2)c(OC)c1
InChIInChI=1S/C20H17N3O2S/c1-24-14-8-9-16(17(10-14)25-2)22-20-21-11-18-19(23-20)15(12-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyXDPJRGCCJOHFKO-UHFFFAOYSA-N
XLogP5.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-methylsulfonylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164611156
tert-butyl 4-[3-methoxy-4-[[7-[2-[methyl(methylsulfonyl)amino]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate
CID 122648795
N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide
CID 164626714
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
CID 22432990
2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
CID 162674736
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
5-bromo-2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine
CID 22060571
4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810
2-amino-5-[2-(3,4-dimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]-N-hydroxybenzeneamine oxide
CID 118680557
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 1150015

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine (CID 42628931) is N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine is COc1ccc(Nc2ncc3scc(-c4ccccc4)c3n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is XDPJRGCCJOHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-14-8-9-16(17(10-14)25-2)22-20-21-11-18-19(23-20)15(12-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine?
N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 363.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 42628931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).