N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine

C13H23N3O — CID 113457874

IUPACN-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)C(C)(C)C)c1C
InChIInChI=1S/C13H23N3O/c1-7-17-12-9(2)11(14-8-15-12)16-10(3)13(4,5)6/h8,10H,7H2,1-6H3,(H,14,15,16)
InChIKeyCQMKQQGYCHWQOR-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.03
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine

N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 113457874) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID113457874
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)C(C)(C)C)c1C
InChIInChI=1S/C13H23N3O/c1-7-17-12-9(2)11(14-8-15-12)16-10(3)13(4,5)6/h8,10H,7H2,1-6H3,(H,14,15,16)
InChIKeyCQMKQQGYCHWQOR-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327004
N-(1-chloro-4-methylpentan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327825
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 66327907
N-(1-chloro-2-methylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66325154
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
CID 66325636

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine (CID 113457874) is N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NC(C)C(C)(C)C)c1C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is CQMKQQGYCHWQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-7-17-12-9(2)11(14-8-15-12)16-10(3)13(4,5)6/h8,10H,7H2,1-6H3,(H,14,15,16).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine?
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 113457874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).