2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine

C20H20N6O3 — CID 71224603

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc2c(Nc3ccnc(Nc4ccc(OC)c(OC)c4)n3)n[nH]c2c1
InChIInChI=1S/C20H20N6O3/c1-27-13-5-6-14-15(11-13)25-26-19(14)23-18-8-9-21-20(24-18)22-12-4-7-16(28-2)17(10-12)29-3/h4-11H,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyXUSHHDLWUZRPIY-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.87
Rot. Bonds7

About 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 71224603) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
PubChem CID71224603
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc2c(Nc3ccnc(Nc4ccc(OC)c(OC)c4)n3)n[nH]c2c1
InChIInChI=1S/C20H20N6O3/c1-27-13-5-6-14-15(11-13)25-26-19(14)23-18-8-9-21-20(24-18)22-12-4-7-16(28-2)17(10-12)29-3/h4-11H,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyXUSHHDLWUZRPIY-UHFFFAOYSA-N
XLogP3.87
TPSA106.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-(4-fluoro-1H-indazol-3-yl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 71224722
N-(3,4-dimethoxyphenyl)-6-fluoro-1H-indazol-3-amine
CID 162651967
4-N-(5,7-difluoro-1H-indazol-3-yl)-2-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 157385160
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine
CID 53476086
2-N-(1,3-benzodioxol-5-yl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112905279
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
amino-[5-chloro-3-[[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]methanol
CID 176696504
4-N-(2,4-dimethoxyphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905226
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897338

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine (CID 71224603) is 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine is COc1ccc2c(Nc3ccnc(Nc4ccc(OC)c(OC)c4)n3)n[nH]c2c1.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is XUSHHDLWUZRPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-27-13-5-6-14-15(11-13)25-26-19(14)23-18-8-9-21-20(24-18)22-12-4-7-16(28-2)17(10-12)29-3/h4-11H,1-3H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 392.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71224603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).