6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine

C20H20N6O3S — CID 19142735

IUPAC6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(Nc3nc4ccc(OC)cc4s3)c2N)c1
InChIInChI=1S/C20H20N6O3S/c1-27-11-5-7-15(29-3)14(8-11)24-18-17(21)19(23-10-22-18)26-20-25-13-6-4-12(28-2)9-16(13)30-20/h4-10H,21H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyUEMUWLXBSFGEJC-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.18
Rot. Bonds7

About 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine

6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19142735) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19142735
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC Name6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(Nc3nc4ccc(OC)cc4s3)c2N)c1
InChIInChI=1S/C20H20N6O3S/c1-27-11-5-7-15(29-3)14(8-11)24-18-17(21)19(23-10-22-18)26-20-25-13-6-4-12(28-2)9-16(13)30-20/h4-10H,21H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyUEMUWLXBSFGEJC-UHFFFAOYSA-N
XLogP4.18
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541931
6-chloro-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 23477564
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148258
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 19136044
4-N-(1-adamantyl)-6-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19143485
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
6-bromo-N-(2,5-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524846
6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150870
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150825
4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,6-diamine
CID 114561888
6-(2,3-dihydroindol-1-yl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 22543272
2-methylpropyl 4-[[5-amino-6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19149511

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19142735) is 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine is COc1ccc(OC)c(Nc2ncnc(Nc3nc4ccc(OC)cc4s3)c2N)c1.
What is the InChIKey of 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is UEMUWLXBSFGEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-27-11-5-7-15(29-3)14(8-11)24-18-17(21)19(23-10-22-18)26-20-25-13-6-4-12(28-2)9-16(13)30-20/h4-10H,21H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 424.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).