3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

C20H20N6O — CID 175569424

IUPAC3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
SMILESCOc1cnc(-c2c(N)ccc(N)c2N)nc1-c1c[nH]c2c(C)cccc12
InChIInChI=1S/C20H20N6O/c1-10-4-3-5-11-12(8-24-18(10)11)19-15(27-2)9-25-20(26-19)16-13(21)6-7-14(22)17(16)23/h3-9,24H,21-23H2,1-2H3
InChIKeyJZRFJWWQKBTVOH-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.36
Rot. Bonds3

About 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine

3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine (PubChem CID 175569424) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
PubChem CID175569424
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
SMILESCOc1cnc(-c2c(N)ccc(N)c2N)nc1-c1c[nH]c2c(C)cccc12
InChIInChI=1S/C20H20N6O/c1-10-4-3-5-11-12(8-24-18(10)11)19-15(27-2)9-25-20(26-19)16-13(21)6-7-14(22)17(16)23/h3-9,24H,21-23H2,1-2H3
InChIKeyJZRFJWWQKBTVOH-UHFFFAOYSA-N
XLogP3.36
TPSA128.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 175569427
2-[4-(7-methoxy-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 175569372
1-(7-methyl-1H-indol-3-yl)isoquinoline
CID 118449722
2-methyl-6-(7-methyl-1H-indol-3-yl)pyridin-3-ol
CID 162628575
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
CID 144940831
4-amino-3-fluoro-N-[(1S,3R)-1-methyl-3-[[4-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 121284499
4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one
CID 158718149
2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline
CID 118449001
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
3-isoquinolin-1-yl-4-(7-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 141401254
[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]methanol
CID 118449725
N-(chloromethyl)-N-(7-methyl-1H-indol-3-yl)hydroxylamine
CID 87974527

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine?
The IUPAC name of 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine (CID 175569424) is 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine.
What is the SMILES notation for 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine?
The canonical SMILES for 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine is COc1cnc(-c2c(N)ccc(N)c2N)nc1-c1c[nH]c2c(C)cccc12.
What is the InChIKey of 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine?
The InChIKey is JZRFJWWQKBTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-10-4-3-5-11-12(8-24-18(10)11)19-15(27-2)9-25-20(26-19)16-13(21)6-7-14(22)17(16)23/h3-9,24H,21-23H2,1-2H3.
What are the key properties of 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine?
3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine has a molecular weight of 360.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-4-(7-methyl-1H-indol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine is sourced from PubChem (CID 175569424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).