6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine

C10H18N4O — CID 80877647

IUPAC6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
SMILESCC(C)(C)CCOc1cc(N)nc(N)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)4-5-15-8-6-7(11)13-9(12)14-8/h6H,4-5H2,1-3H3,(H4,11,12,13,14)
InChIKeyAVWWMUZSMANIMO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.46
Rot. Bonds3

About 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine

6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine (PubChem CID 80877647) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
PubChem CID80877647
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
SMILESCC(C)(C)CCOc1cc(N)nc(N)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)4-5-15-8-6-7(11)13-9(12)14-8/h6H,4-5H2,1-3H3,(H4,11,12,13,14)
InChIKeyAVWWMUZSMANIMO-UHFFFAOYSA-N
XLogP1.46
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
CID 112590841
6-(3,3-dimethylbutoxy)-2-phenylpyrimidin-4-amine
CID 115915949
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyrimidine-2,4-diamine
CID 102741225
6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
CID 161467672
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 80870818
2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine
CID 170651568
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590912
1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379549
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176389
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine (CID 80877647) is 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine is CC(C)(C)CCOc1cc(N)nc(N)n1.
What is the InChIKey of 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine?
The InChIKey is AVWWMUZSMANIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)4-5-15-8-6-7(11)13-9(12)14-8/h6H,4-5H2,1-3H3,(H4,11,12,13,14).
What are the key properties of 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine?
6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80877647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).