2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine

C12H17N3O — CID 122239001

IUPAC2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
SMILESNc1cc(C2CCOCC2)nc(C2CC2)n1
InChIInChI=1S/C12H17N3O/c13-11-7-10(8-3-5-16-6-4-8)14-12(15-11)9-1-2-9/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyKQFQDCUJDVXEIO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.83
Rot. Bonds2

About 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine

2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 122239001) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
PubChem CID122239001
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
SMILESNc1cc(C2CCOCC2)nc(C2CC2)n1
InChIInChI=1S/C12H17N3O/c13-11-7-10(8-3-5-16-6-4-8)14-12(15-11)9-1-2-9/h7-9H,1-6H2,(H2,13,14,15)
InChIKeyKQFQDCUJDVXEIO-UHFFFAOYSA-N
XLogP1.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine (CID 122239001) is 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine is Nc1cc(C2CCOCC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is KQFQDCUJDVXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-7-10(8-3-5-16-6-4-8)14-12(15-11)9-1-2-9/h7-9H,1-6H2,(H2,13,14,15).
What are the key properties of 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine?
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 122239001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).