4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine

C16H25N3O — CID 80868869

IUPAC4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OCC2CC=CCC2C)n1
InChIInChI=1S/C16H25N3O/c1-4-9-17-16-18-13(3)10-15(19-16)20-11-14-8-6-5-7-12(14)2/h5-6,10,12,14H,4,7-9,11H2,1-3H3,(H,17,18,19)
InChIKeyIXHFBPHNQSBLPO-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.59
Rot. Bonds6

About 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine

4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine (PubChem CID 80868869) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
PubChem CID80868869
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OCC2CC=CCC2C)n1
InChIInChI=1S/C16H25N3O/c1-4-9-17-16-18-13(3)10-15(19-16)20-11-14-8-6-5-7-12(14)2/h5-6,10,12,14H,4,7-9,11H2,1-3H3,(H,17,18,19)
InChIKeyIXHFBPHNQSBLPO-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine
CID 102608825
4-methyl-N-[(2-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107419381
4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine
CID 80882608
[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine
CID 80913888
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine
CID 80843048
2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
CID 80956995

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine (CID 80868869) is 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(OCC2CC=CCC2C)n1.
What is the InChIKey of 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine?
The InChIKey is IXHFBPHNQSBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-9-17-16-18-13(3)10-15(19-16)20-11-14-8-6-5-7-12(14)2/h5-6,10,12,14H,4,7-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine?
4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80868869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).