(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine

C12H15N5 — CID 103431871

IUPAC(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
SMILESCc1cnc(-c2ncc([C@@H](C)N)c(C)n2)nc1
InChIInChI=1S/C12H15N5/c1-7-4-14-11(15-5-7)12-16-6-10(8(2)13)9(3)17-12/h4-6,8H,13H2,1-3H3/t8-/m1/s1
InChIKeyHMULRZNKJDRDAX-MRVPVSSYSA-N
MW229.29 g/mol
LogP1.57
Rot. Bonds2

About (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine

(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine (PubChem CID 103431871) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
PubChem CID103431871
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
SMILESCc1cnc(-c2ncc([C@@H](C)N)c(C)n2)nc1
InChIInChI=1S/C12H15N5/c1-7-4-14-11(15-5-7)12-16-6-10(8(2)13)9(3)17-12/h4-6,8H,13H2,1-3H3/t8-/m1/s1
InChIKeyHMULRZNKJDRDAX-MRVPVSSYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine (CID 103431871) is (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine is Cc1cnc(-c2ncc([C@@H](C)N)c(C)n2)nc1.
What is the InChIKey of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine?
The InChIKey is HMULRZNKJDRDAX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N5/c1-7-4-14-11(15-5-7)12-16-6-10(8(2)13)9(3)17-12/h4-6,8H,13H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine?
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine has a molecular weight of 229.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103431871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).