2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine

C15H19N3 — CID 133365573

IUPAC2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
SMILESc1cc(NC2C3C4CCC(C4)C23)nc(C2CC2)n1
InChIInChI=1S/C15H19N3/c1-2-8(1)15-16-6-5-11(18-15)17-14-12-9-3-4-10(7-9)13(12)14/h5-6,8-10,12-14H,1-4,7H2,(H,16,17,18)
InChIKeyFBEOXJHKBHFNCH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.81
Rot. Bonds3

About 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine

2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine (PubChem CID 133365573) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
PubChem CID133365573
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
SMILESc1cc(NC2C3C4CCC(C4)C23)nc(C2CC2)n1
InChIInChI=1S/C15H19N3/c1-2-8(1)15-16-6-5-11(18-15)17-14-12-9-3-4-10(7-9)13(12)14/h5-6,8-10,12-14H,1-4,7H2,(H,16,17,18)
InChIKeyFBEOXJHKBHFNCH-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine (CID 133365573) is 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine is c1cc(NC2C3C4CCC(C4)C23)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The InChIKey is FBEOXJHKBHFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-8(1)15-16-6-5-11(18-15)17-14-12-9-3-4-10(7-9)13(12)14/h5-6,8-10,12-14H,1-4,7H2,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine is sourced from PubChem (CID 133365573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).