2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine

C15H25N3O — CID 116775665

IUPAC2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(N)cc(C(C)C)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-11(2)12-10-13(16)18-14(17-12)15(19-3)8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyJOAHGOKLGKDYCM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine

2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116775665) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID116775665
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC1(c2nc(N)cc(C(C)C)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-11(2)12-10-13(16)18-14(17-12)15(19-3)8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyJOAHGOKLGKDYCM-UHFFFAOYSA-N
XLogP3.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775657
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
2-(1-methoxycyclohexyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116775977
2-(1-methoxycyclopentyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104611688
2-(1-methoxycyclopentyl)-6-phenylpyrimidin-4-amine
CID 104611662
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
2-(1-methoxycyclobutyl)pyrimidin-4-amine
CID 116728675
6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
CID 116775622
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
CID 116778439
[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 116778602
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777283

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine (CID 116775665) is 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine is COC1(c2nc(N)cc(C(C)C)n2)CCCCCC1.
What is the InChIKey of 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is JOAHGOKLGKDYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)12-10-13(16)18-14(17-12)15(19-3)8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine?
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116775665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).