N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine

C14H23N3O — CID 112636624

IUPACN-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11(2)18-13-9-10-15-14(17-13)16-12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFPWDGABNHYGCJA-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.40
Rot. Bonds4

About N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine

N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636624) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112636624
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11(2)18-13-9-10-15-14(17-13)16-12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFPWDGABNHYGCJA-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine (CID 112636624) is N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is FPWDGABNHYGCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)18-13-9-10-15-14(17-13)16-12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine?
N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).