4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine

C14H22N4 — CID 95841747

IUPAC4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CN(C3CCCCCC3)C2)n1
InChIInChI=1S/C14H22N4/c15-14-16-8-7-13(17-14)11-9-18(10-11)12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,15,16,17)
InChIKeyAHPOPLWZKQHDMI-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.18
Rot. Bonds2

About 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine

4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine (PubChem CID 95841747) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine
PubChem CID95841747
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CN(C3CCCCCC3)C2)n1
InChIInChI=1S/C14H22N4/c15-14-16-8-7-13(17-14)11-9-18(10-11)12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,15,16,17)
InChIKeyAHPOPLWZKQHDMI-UHFFFAOYSA-N
XLogP2.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine (CID 95841747) is 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine is Nc1nccc(C2CN(C3CCCCCC3)C2)n1.
What is the InChIKey of 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine?
The InChIKey is AHPOPLWZKQHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-14-16-8-7-13(17-14)11-9-18(10-11)12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,15,16,17).
What are the key properties of 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine?
4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cycloheptylazetidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 95841747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).