N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine

C19H17N3O3S — CID 71569579

IUPACN-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)sc1c(Nc3ccc(OC)c(OC)c3)ncnc12
InChIInChI=1S/C19H17N3O3S/c1-23-12-5-6-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-4-7-14(24-2)15(8-11)25-3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyACAUCFBBNHZFJX-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.61
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine

N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine (PubChem CID 71569579) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine
PubChem CID71569579
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc2c(c1)sc1c(Nc3ccc(OC)c(OC)c3)ncnc12
InChIInChI=1S/C19H17N3O3S/c1-23-12-5-6-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-4-7-14(24-2)15(8-11)25-3/h4-10H,1-3H3,(H,20,21,22)
InChIKeyACAUCFBBNHZFJX-UHFFFAOYSA-N
XLogP4.61
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-Methylsulfanylanilino)-6,7-Dimethoxyquinazoline
CID 1714
6-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 137321167
Benzothieno[3,2-d]pyrimidine deriv. 72
CID 5328420
Benzothieno[3,2-d]pyrimidine deriv. 66
CID 5328414
Benzothieno[3,2-d]pyrimidine deriv. 73
CID 5328421
N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
N-(1,3-benzodioxol-5-ylmethyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 2809722
(6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazol-4-yl)-phenyl]-amine
CID 10136035
(6-Ethoxy-7-propoxy-quinazolin-4-yl)-[3-(2-methyl-thiazol-4-yl)-phenyl]-amine
CID 10173309
4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 10386217
N-(4-(benzo[d]thiazol-2-yl)phenyl)-6,7-dimethoxyquinazolin-4-amine
CID 16042971
N-(4-(benzo[d]thiazol-2-yl)-2-methylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 44156909

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine (CID 71569579) is N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine is COc1ccc2c(c1)sc1c(Nc3ccc(OC)c(OC)c3)ncnc12.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
The InChIKey is ACAUCFBBNHZFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-23-12-5-6-13-16(9-12)26-18-17(13)20-10-21-19(18)22-11-4-7-14(24-2)15(8-11)25-3/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine?
N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine has a molecular weight of 367.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 71569579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).