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

C17H27N3O — CID 80956995

IUPAC2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
SMILESCNc1cc(OCC2CC=CCC2C)nc(C(C)(C)C)n1
InChIInChI=1S/C17H27N3O/c1-12-8-6-7-9-13(12)11-21-15-10-14(18-5)19-16(20-15)17(2,3)4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,18,19,20)
InChIKeyHWOVFSGFTNFAIX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.80
Rot. Bonds4

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

2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine (PubChem CID 80956995) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
PubChem CID80956995
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
SMILESCNc1cc(OCC2CC=CCC2C)nc(C(C)(C)C)n1
InChIInChI=1S/C17H27N3O/c1-12-8-6-7-9-13(12)11-21-15-10-14(18-5)19-16(20-15)17(2,3)4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,18,19,20)
InChIKeyHWOVFSGFTNFAIX-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.80
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-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine
CID 80966379
N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719626
2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine
CID 80963364
2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80966607
4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
CID 80868869
2-tert-butyl-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80965644
2-methyl-N-[[6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 66450992
N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine
CID 62290414
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pyridin-3-amine
CID 104536016
1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 62291311

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine (CID 80956995) is 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine is CNc1cc(OCC2CC=CCC2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
The InChIKey is HWOVFSGFTNFAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-8-6-7-9-13(12)11-21-15-10-14(18-5)19-16(20-15)17(2,3)4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine?
2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 80956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).