2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine

C12H15N5 — CID 114207192

IUPAC2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine
SMILESCc1cnc(-c2ncc(N)c(C(C)C)n2)nc1
InChIInChI=1S/C12H15N5/c1-7(2)10-9(13)6-16-12(17-10)11-14-4-8(3)5-15-11/h4-7H,13H2,1-3H3
InChIKeyABLGWXSRIQUGLF-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.95
Rot. Bonds2

About 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine

2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine (PubChem CID 114207192) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine
PubChem CID114207192
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine
SMILESCc1cnc(-c2ncc(N)c(C(C)C)n2)nc1
InChIInChI=1S/C12H15N5/c1-7(2)10-9(13)6-16-12(17-10)11-14-4-8(3)5-15-11/h4-7H,13H2,1-3H3
InChIKeyABLGWXSRIQUGLF-UHFFFAOYSA-N
XLogP1.95
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine (CID 114207192) is 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine is Cc1cnc(-c2ncc(N)c(C(C)C)n2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine?
The InChIKey is ABLGWXSRIQUGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-7(2)10-9(13)6-16-12(17-10)11-14-4-8(3)5-15-11/h4-7H,13H2,1-3H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine?
2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine has a molecular weight of 229.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)-4-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 114207192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).