2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine

C16H20N4 — CID 83289471

IUPAC2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESCc1nc(-c2ccccc2C)c(N)c(N2CCCC2)n1
InChIInChI=1S/C16H20N4/c1-11-7-3-4-8-13(11)15-14(17)16(19-12(2)18-15)20-9-5-6-10-20/h3-4,7-8H,5-6,9-10,17H2,1-2H3
InChIKeyGWASXJDOMQAZGY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds2

About 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine

2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine (PubChem CID 83289471) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine
PubChem CID83289471
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESCc1nc(-c2ccccc2C)c(N)c(N2CCCC2)n1
InChIInChI=1S/C16H20N4/c1-11-7-3-4-8-13(11)15-14(17)16(19-12(2)18-15)20-9-5-6-10-20/h3-4,7-8H,5-6,9-10,17H2,1-2H3
InChIKeyGWASXJDOMQAZGY-UHFFFAOYSA-N
XLogP2.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The IUPAC name of 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine (CID 83289471) is 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine is Cc1nc(-c2ccccc2C)c(N)c(N2CCCC2)n1.
What is the InChIKey of 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The InChIKey is GWASXJDOMQAZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-7-3-4-8-13(11)15-14(17)16(19-12(2)18-15)20-9-5-6-10-20/h3-4,7-8H,5-6,9-10,17H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 83289471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).