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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Related Compounds

1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
CID 64572331
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 115365986
4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586498
N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine
CID 66332028
1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine
CID 64574686
4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine
CID 64830499
1-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]cycloheptan-1-amine
CID 64549179
4-[(1-aminocyclopentyl)methoxy]-N,N-dimethylpyrimidin-2-amine
CID 64830105
1-[(6-methylpyridazin-3-yl)oxymethyl]cyclopentan-1-amine
CID 64574189
1-[(6-ethoxypyrazin-2-yl)oxymethyl]cyclopentan-1-amine
CID 64571624
1-[(4-methyl-5-nitro-2-pyridinyl)oxymethyl]cyclopentan-1-amine
CID 79177036
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722

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).