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

C16H30N4O — CID 114944683

IUPAC4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)(C)OCC)c1CCC
InChIInChI=1S/C16H30N4O/c1-6-9-13-14(17-10-7-2)19-12-20-15(13)18-11-16(4,5)21-8-3/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyWIWRABMIUYNJJD-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.48
Rot. Bonds10

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

4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 114944683) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID114944683
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)(C)OCC)c1CCC
InChIInChI=1S/C16H30N4O/c1-6-9-13-14(17-10-7-2)19-12-20-15(13)18-11-16(4,5)21-8-3/h12H,6-11H2,1-5H3,(H2,17,18,19,20)
InChIKeyWIWRABMIUYNJJD-UHFFFAOYSA-N
XLogP3.48
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944633
4-N-(2-methylsulfanylethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839637
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
4-N-(2-ethoxy-2-methylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114944668
4-N-(3-methylsulfanylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839154
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
CID 106669014
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine (CID 114944683) is 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC(C)(C)OCC)c1CCC.
What is the InChIKey of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is WIWRABMIUYNJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-9-13-14(17-10-7-2)19-12-20-15(13)18-11-16(4,5)21-8-3/h12H,6-11H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.48, 10 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)-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 114944683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).