2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine

C11H13N5 — CID 80992242

IUPAC2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-n1ccnc1
InChIInChI=1S/C11H13N5/c1-7-9(12)14-10(8-2-3-8)15-11(7)16-5-4-13-6-16/h4-6,8H,2-3H2,1H3,(H2,12,14,15)
InChIKeyXKWHVFODZNANGJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.43
Rot. Bonds2

About 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine

2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine (PubChem CID 80992242) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine
PubChem CID80992242
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-n1ccnc1
InChIInChI=1S/C11H13N5/c1-7-9(12)14-10(8-2-3-8)15-11(7)16-5-4-13-6-16/h4-6,8H,2-3H2,1H3,(H2,12,14,15)
InChIKeyXKWHVFODZNANGJ-UHFFFAOYSA-N
XLogP1.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine (CID 80992242) is 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1-n1ccnc1.
What is the InChIKey of 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine?
The InChIKey is XKWHVFODZNANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-9(12)14-10(8-2-3-8)15-11(7)16-5-4-13-6-16/h4-6,8H,2-3H2,1H3,(H2,12,14,15).
What are the key properties of 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-imidazol-1-yl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80992242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).