4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine

C14H14N4O — CID 50955845

IUPAC4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCOc1cc(-c2c[nH]c3ccc(C)cc23)nc(N)n1
InChIInChI=1S/C14H14N4O/c1-8-3-4-11-9(5-8)10(7-16-11)12-6-13(19-2)18-14(15)17-12/h3-7,16H,1-2H3,(H2,15,17,18)
InChIKeyWIKFZXIUHPMWTE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.52
Rot. Bonds2

About 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine

4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 50955845) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID50955845
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCOc1cc(-c2c[nH]c3ccc(C)cc23)nc(N)n1
InChIInChI=1S/C14H14N4O/c1-8-3-4-11-9(5-8)10(7-16-11)12-6-13(19-2)18-14(15)17-12/h3-7,16H,1-2H3,(H2,15,17,18)
InChIKeyWIKFZXIUHPMWTE-UHFFFAOYSA-N
XLogP2.52
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
4-(2,6-dimethyl-3-pyridinyl)-6-methoxypyrimidin-2-amine
CID 39826421
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
3,5-dimethyl-1H-indole
CID 142943492
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
CID 136985979
4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 91462753
4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine
CID 114053330
CID 170793017
CID 170793017

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine (CID 50955845) is 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine is COc1cc(-c2c[nH]c3ccc(C)cc23)nc(N)n1.
What is the InChIKey of 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is WIKFZXIUHPMWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-3-4-11-9(5-8)10(7-16-11)12-6-13(19-2)18-14(15)17-12/h3-7,16H,1-2H3,(H2,15,17,18).
What are the key properties of 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine?
4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(5-methyl-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 50955845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).