[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine

C15H16N4 — CID 83728422

IUPAC[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine
SMILESCc1ncc(CN)c(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C15H16N4/c1-10-17-8-11(7-16)15(18-10)13-9-19(2)14-6-4-3-5-12(13)14/h3-6,8-9H,7,16H2,1-2H3
InChIKeyYNGIEBULAONJLL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.40
Rot. Bonds2

About [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine

[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine (PubChem CID 83728422) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine
PubChem CID83728422
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine
SMILESCc1ncc(CN)c(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C15H16N4/c1-10-17-8-11(7-16)15(18-10)13-9-19(2)14-6-4-3-5-12(13)14/h3-6,8-9H,7,16H2,1-2H3
InChIKeyYNGIEBULAONJLL-UHFFFAOYSA-N
XLogP2.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine (CID 83728422) is [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine is Cc1ncc(CN)c(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine?
The InChIKey is YNGIEBULAONJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-17-8-11(7-16)15(18-10)13-9-19(2)14-6-4-3-5-12(13)14/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine?
[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83728422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).