4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine

C12H22N4O — CID 114944680

IUPAC4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1ncnc(N)c1CC
InChIInChI=1S/C12H22N4O/c1-5-9-10(13)15-8-16-11(9)14-7-12(3,4)17-6-2/h8H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyVNQTZQNJMSQGKT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.85
Rot. Bonds6

About 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine

4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 114944680) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID114944680
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1ncnc(N)c1CC
InChIInChI=1S/C12H22N4O/c1-5-9-10(13)15-8-16-11(9)14-7-12(3,4)17-6-2/h8H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyVNQTZQNJMSQGKT-UHFFFAOYSA-N
XLogP1.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944633
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098686
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine (CID 114944680) is 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine is CCOC(C)(C)CNc1ncnc(N)c1CC.
What is the InChIKey of 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is VNQTZQNJMSQGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-9-10(13)15-8-16-11(9)14-7-12(3,4)17-6-2/h8H,5-7H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114944680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).