1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine

C15H25N3O2 — CID 66332838

IUPAC1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
SMILESCC(C)Oc1cc(OCC2(N)CCCCCC2)ncn1
InChIInChI=1S/C15H25N3O2/c1-12(2)20-14-9-13(17-11-18-14)19-10-15(16)7-5-3-4-6-8-15/h9,11-12H,3-8,10,16H2,1-2H3
InChIKeyFUNUXYCZJPGUAQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.69
Rot. Bonds5

About 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine

1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine (PubChem CID 66332838) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
PubChem CID66332838
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
SMILESCC(C)Oc1cc(OCC2(N)CCCCCC2)ncn1
InChIInChI=1S/C15H25N3O2/c1-12(2)20-14-9-13(17-11-18-14)19-10-15(16)7-5-3-4-6-8-15/h9,11-12H,3-8,10,16H2,1-2H3
InChIKeyFUNUXYCZJPGUAQ-UHFFFAOYSA-N
XLogP2.69
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine (CID 66332838) is 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine is CC(C)Oc1cc(OCC2(N)CCCCCC2)ncn1.
What is the InChIKey of 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine?
The InChIKey is FUNUXYCZJPGUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)20-14-9-13(17-11-18-14)19-10-15(16)7-5-3-4-6-8-15/h9,11-12H,3-8,10,16H2,1-2H3.
What are the key properties of 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine?
1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-propan-2-yloxypyrimidin-4-yl)oxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 66332838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).