4-N-ethylpyrimidine-2,4,5-triamine

C6H11N5 — CID 167243214

IUPAC4-N-ethylpyrimidine-2,4,5-triamine
SMILESCCNc1nc(N)ncc1N
InChIInChI=1S/C6H11N5/c1-2-9-5-4(7)3-10-6(8)11-5/h3H,2,7H2,1H3,(H3,8,9,10,11)
InChIKeyLSIZEUXIDVPZAO-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.07
Rot. Bonds2

About 4-N-ethylpyrimidine-2,4,5-triamine

4-N-ethylpyrimidine-2,4,5-triamine (PubChem CID 167243214) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-N-ethylpyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-ethylpyrimidine-2,4,5-triamine
PubChem CID167243214
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name4-N-ethylpyrimidine-2,4,5-triamine
SMILESCCNc1nc(N)ncc1N
InChIInChI=1S/C6H11N5/c1-2-9-5-4(7)3-10-6(8)11-5/h3H,2,7H2,1H3,(H3,8,9,10,11)
InChIKeyLSIZEUXIDVPZAO-UHFFFAOYSA-N
XLogP0.07
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethylpyrimidine-2,4,5-triamine?
The IUPAC name of 4-N-ethylpyrimidine-2,4,5-triamine (CID 167243214) is 4-N-ethylpyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-N-ethylpyrimidine-2,4,5-triamine?
The canonical SMILES for 4-N-ethylpyrimidine-2,4,5-triamine is CCNc1nc(N)ncc1N.
What is the InChIKey of 4-N-ethylpyrimidine-2,4,5-triamine?
The InChIKey is LSIZEUXIDVPZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-9-5-4(7)3-10-6(8)11-5/h3H,2,7H2,1H3,(H3,8,9,10,11).
What are the key properties of 4-N-ethylpyrimidine-2,4,5-triamine?
4-N-ethylpyrimidine-2,4,5-triamine has a molecular weight of 153.19 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethylpyrimidine-2,4,5-triamine is sourced from PubChem (CID 167243214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).