2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine

C16H25N3O — CID 80966379

IUPAC2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
SMILESCC1CC=CCC1COc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C16H25N3O/c1-11-7-5-6-8-12(11)10-20-14-9-13(17)18-15(19-14)16(2,3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H2,17,18,19)
InChIKeySTDUQCTTYZOUCQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.34
Rot. Bonds3

About 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine

2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine (PubChem CID 80966379) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
PubChem CID80966379
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
SMILESCC1CC=CCC1COc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C16H25N3O/c1-11-7-5-6-8-12(11)10-20-14-9-13(17)18-15(19-14)16(2,3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H2,17,18,19)
InChIKeySTDUQCTTYZOUCQ-UHFFFAOYSA-N
XLogP3.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.34
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

2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
CID 80956995
2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
CID 80962786
4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
CID 80868869
N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719626
2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451224
2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66450992
[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine
CID 80913888
2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 113464266
2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962886
6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 140649990
2-tert-butyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80965893
N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine
CID 80867873

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine (CID 80966379) is 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine is CC1CC=CCC1COc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
The InChIKey is STDUQCTTYZOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-7-5-6-8-12(11)10-20-14-9-13(17)18-15(19-14)16(2,3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 80966379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).