2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine

C12H13N3O — CID 80977406

IUPAC2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1ccco1
InChIInChI=1S/C12H13N3O/c1-7-10(9-3-2-6-16-9)14-12(8-4-5-8)15-11(7)13/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyBMKNSHHJFOOLEK-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.50
Rot. Bonds2

About 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine (PubChem CID 80977406) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine
PubChem CID80977406
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1-c1ccco1
InChIInChI=1S/C12H13N3O/c1-7-10(9-3-2-6-16-9)14-12(8-4-5-8)15-11(7)13/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyBMKNSHHJFOOLEK-UHFFFAOYSA-N
XLogP2.50
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine (CID 80977406) is 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1-c1ccco1.
What is the InChIKey of 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine?
The InChIKey is BMKNSHHJFOOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-10(9-3-2-6-16-9)14-12(8-4-5-8)15-11(7)13/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(furan-2-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80977406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).