4-cycloheptyloxy-N-propylpyrimidin-2-amine

C14H23N3O — CID 80871966

IUPAC4-cycloheptyloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-10-15-14-16-11-9-13(17-14)18-12-7-5-3-4-6-8-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17)
InChIKeyNJOMQPIHHGTAMO-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.40
Rot. Bonds5

About 4-cycloheptyloxy-N-propylpyrimidin-2-amine

4-cycloheptyloxy-N-propylpyrimidin-2-amine (PubChem CID 80871966) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-cycloheptyloxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cycloheptyloxy-N-propylpyrimidin-2-amine
PubChem CID80871966
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-cycloheptyloxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-10-15-14-16-11-9-13(17-14)18-12-7-5-3-4-6-8-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17)
InChIKeyNJOMQPIHHGTAMO-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-N-propylpyrimidin-2-amine?
The IUPAC name of 4-cycloheptyloxy-N-propylpyrimidin-2-amine (CID 80871966) is 4-cycloheptyloxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-cycloheptyloxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-cycloheptyloxy-N-propylpyrimidin-2-amine is CCCNc1nccc(OC2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyloxy-N-propylpyrimidin-2-amine?
The InChIKey is NJOMQPIHHGTAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-10-15-14-16-11-9-13(17-14)18-12-7-5-3-4-6-8-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17).
What are the key properties of 4-cycloheptyloxy-N-propylpyrimidin-2-amine?
4-cycloheptyloxy-N-propylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80871966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).