2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine

C20H20N6O — CID 56649380

IUPAC2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1
InChIInChI=1S/C20H20N6O/c1-25-13-14-7-8-16(12-18(14)24-25)26(2)19-9-10-21-20(23-19)22-15-5-4-6-17(11-15)27-3/h4-13H,1-3H3,(H,21,22,23)
InChIKeyAFUBCLLWIWQXNA-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.88
Rot. Bonds5

About 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine

2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 56649380) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
PubChem CID56649380
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1
InChIInChI=1S/C20H20N6O/c1-25-13-14-7-8-16(12-18(14)24-25)26(2)19-9-10-21-20(23-19)22-15-5-4-6-17(11-15)27-3/h4-13H,1-3H3,(H,21,22,23)
InChIKeyAFUBCLLWIWQXNA-UHFFFAOYSA-N
XLogP3.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine (CID 56649380) is 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine is COc1cccc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is AFUBCLLWIWQXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-13-14-7-8-16(12-18(14)24-25)26(2)19-9-10-21-20(23-19)22-15-5-4-6-17(11-15)27-3/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 360.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 56649380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).