5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine

C20H20N6O3 — CID 67420251

IUPAC5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc2[nH]nc(Nc3nc(N)ncc3-c3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H20N6O3/c1-27-12-5-6-15-13(9-12)19(26-25-15)23-18-14(10-22-20(21)24-18)11-4-7-16(28-2)17(8-11)29-3/h4-10H,1-3H3,(H4,21,22,23,24,25,26)
InChIKeyHBBYPMIPAQNHTN-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.37
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine

5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 67420251) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
PubChem CID67420251
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc2[nH]nc(Nc3nc(N)ncc3-c3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H20N6O3/c1-27-12-5-6-15-13(9-12)19(26-25-15)23-18-14(10-22-20(21)24-18)11-4-7-16(28-2)17(8-11)29-3/h4-10H,1-3H3,(H4,21,22,23,24,25,26)
InChIKeyHBBYPMIPAQNHTN-UHFFFAOYSA-N
XLogP3.37
TPSA120.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(5,7-difluoro-1H-indazol-3-yl)-5-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 67406256
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine
CID 24991698
2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
CID 71224603
5-methoxy-3-(1H-pyrazol-4-yl)-1H-indazole
CID 136964363
5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225109
5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
N-[4-(difluoromethoxy)-3-methoxyphenyl]-8-methoxy-3H-pyrazolo[3,4-c]quinolin-1-amine
CID 154250514
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225115
5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 69028684

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine (CID 67420251) is 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine is COc1ccc2[nH]nc(Nc3nc(N)ncc3-c3ccc(OC)c(OC)c3)c2c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is HBBYPMIPAQNHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-27-12-5-6-15-13(9-12)19(26-25-15)23-18-14(10-22-20(21)24-18)11-4-7-16(28-2)17(8-11)29-3/h4-10H,1-3H3,(H4,21,22,23,24,25,26).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 392.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67420251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).