3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol

C15H23N3O — CID 91785004

IUPAC3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NC3CCCCCC3)ncn2)C1
InChIInChI=1S/C15H23N3O/c19-13-7-11(8-13)14-9-15(17-10-16-14)18-12-5-3-1-2-4-6-12/h9-13,19H,1-8H2,(H,16,17,18)
InChIKeyDMADZZNPCRKZQB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds3

About 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol

3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91785004) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91785004
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NC3CCCCCC3)ncn2)C1
InChIInChI=1S/C15H23N3O/c19-13-7-11(8-13)14-9-15(17-10-16-14)18-12-5-3-1-2-4-6-12/h9-13,19H,1-8H2,(H,16,17,18)
InChIKeyDMADZZNPCRKZQB-UHFFFAOYSA-N
XLogP2.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol (CID 91785004) is 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(NC3CCCCCC3)ncn2)C1.
What is the InChIKey of 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is DMADZZNPCRKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-13-7-11(8-13)14-9-15(17-10-16-14)18-12-5-3-1-2-4-6-12/h9-13,19H,1-8H2,(H,16,17,18).
What are the key properties of 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cycloheptylamino)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91785004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).