ethane;4-N-ethylpyrimidine-4,5,6-triamine

C8H17N5 — CID 142869068

IUPACethane;4-N-ethylpyrimidine-4,5,6-triamine
SMILESCC.CCNc1ncnc(N)c1N
InChIInChI=1S/C6H11N5.C2H6/c1-2-9-6-4(7)5(8)10-3-11-6;1-2/h3H,2,7H2,1H3,(H3,8,9,10,11);1-2H3
InChIKeyUDMIDRDHFABWQJ-UHFFFAOYSA-N
MW183.26 g/mol
LogP1.10
Rot. Bonds2

About ethane;4-N-ethylpyrimidine-4,5,6-triamine

ethane;4-N-ethylpyrimidine-4,5,6-triamine (PubChem CID 142869068) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is ethane;4-N-ethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Nameethane;4-N-ethylpyrimidine-4,5,6-triamine
PubChem CID142869068
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Nameethane;4-N-ethylpyrimidine-4,5,6-triamine
SMILESCC.CCNc1ncnc(N)c1N
InChIInChI=1S/C6H11N5.C2H6/c1-2-9-6-4(7)5(8)10-3-11-6;1-2/h3H,2,7H2,1H3,(H3,8,9,10,11);1-2H3
InChIKeyUDMIDRDHFABWQJ-UHFFFAOYSA-N
XLogP1.10
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethane;4-N-ethylpyrimidine-4,5,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
4-N,4-N,6-N-triethylpyrimidine-4,5,6-triamine
CID 19135168
4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135249
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045

Frequently Asked Questions

What is the IUPAC name of ethane;4-N-ethylpyrimidine-4,5,6-triamine?
The IUPAC name of ethane;4-N-ethylpyrimidine-4,5,6-triamine (CID 142869068) is ethane;4-N-ethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for ethane;4-N-ethylpyrimidine-4,5,6-triamine?
The canonical SMILES for ethane;4-N-ethylpyrimidine-4,5,6-triamine is CC.CCNc1ncnc(N)c1N.
What is the InChIKey of ethane;4-N-ethylpyrimidine-4,5,6-triamine?
The InChIKey is UDMIDRDHFABWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5.C2H6/c1-2-9-6-4(7)5(8)10-3-11-6;1-2/h3H,2,7H2,1H3,(H3,8,9,10,11);1-2H3.
What are the key properties of ethane;4-N-ethylpyrimidine-4,5,6-triamine?
ethane;4-N-ethylpyrimidine-4,5,6-triamine has a molecular weight of 183.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-ethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 142869068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).