6-ethoxy-4-N-ethylpyrimidine-4,5-diamine

C8H14N4O — CID 19135293

IUPAC6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(OCC)c1N
InChIInChI=1S/C8H14N4O/c1-3-10-7-6(9)8(13-4-2)12-5-11-7/h5H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyZPSYRTXMHQUVDU-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.89
Rot. Bonds4

About 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine

6-ethoxy-4-N-ethylpyrimidine-4,5-diamine (PubChem CID 19135293) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
PubChem CID19135293
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
SMILESCCNc1ncnc(OCC)c1N
InChIInChI=1S/C8H14N4O/c1-3-10-7-6(9)8(13-4-2)12-5-11-7/h5H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyZPSYRTXMHQUVDU-UHFFFAOYSA-N
XLogP0.89
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 115356044
ethane;4-N-ethylpyrimidine-4,5,6-triamine
CID 142869068
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
3-[2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114171712
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine
CID 112668285
6-ethoxy-4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595360
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine (CID 19135293) is 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine is CCNc1ncnc(OCC)c1N.
What is the InChIKey of 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine?
The InChIKey is ZPSYRTXMHQUVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-10-7-6(9)8(13-4-2)12-5-11-7/h5H,3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine?
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine has a molecular weight of 182.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).