2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine

C15H25N3O2 — CID 116776150

IUPAC2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-14(2)5-7-15(20-4,8-6-14)13-17-11(10-19-3)9-12(16)18-13/h9H,5-8,10H2,1-4H3,(H2,16,17,18)
InChIKeyRCDBFLWUSDOWRK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.65
Rot. Bonds4

About 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 116776150) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID116776150
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(C2(OC)CCC(C)(C)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-14(2)5-7-15(20-4,8-6-14)13-17-11(10-19-3)9-12(16)18-13/h9H,5-8,10H2,1-4H3,(H2,16,17,18)
InChIKeyRCDBFLWUSDOWRK-UHFFFAOYSA-N
XLogP2.65
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116745853
6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
CID 116775622
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775657
[2-(1-methoxycyclobutyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 116730395
4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116745866
2-cyclopentyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320970
2-cyclobutyl-6-(methoxymethyl)pyrimidin-4-amine
CID 64986047
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
4-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781945
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745744
2-(1-methoxy-4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775540
2-(1-methoxycyclopentyl)-6-phenylpyrimidin-4-amine
CID 104611662

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 116776150) is 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(C2(OC)CCC(C)(C)CC2)n1.
What is the InChIKey of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is RCDBFLWUSDOWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2)5-7-15(20-4,8-6-14)13-17-11(10-19-3)9-12(16)18-13/h9H,5-8,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4,4-dimethylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 116776150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).