4-ethyl-1H-pyrimidine-2,4-diamine

C6H12N4 — CID 67413305

IUPAC4-ethyl-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C6H12N4/c1-2-6(8)3-4-9-5(7)10-6/h3-4H,2,8H2,1H3,(H3,7,9,10)
InChIKeyNEEMGJZAPIGVJE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds1

About 4-ethyl-1H-pyrimidine-2,4-diamine

4-ethyl-1H-pyrimidine-2,4-diamine (PubChem CID 67413305) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-ethyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-1H-pyrimidine-2,4-diamine
PubChem CID67413305
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name4-ethyl-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C6H12N4/c1-2-6(8)3-4-9-5(7)10-6/h3-4H,2,8H2,1H3,(H3,7,9,10)
InChIKeyNEEMGJZAPIGVJE-UHFFFAOYSA-N
XLogP-0.52
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-1H-pyrimidine-2,4-diamine (CID 67413305) is 4-ethyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-1H-pyrimidine-2,4-diamine is CCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-ethyl-1H-pyrimidine-2,4-diamine?
The InChIKey is NEEMGJZAPIGVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-6(8)3-4-9-5(7)10-6/h3-4H,2,8H2,1H3,(H3,7,9,10).
What are the key properties of 4-ethyl-1H-pyrimidine-2,4-diamine?
4-ethyl-1H-pyrimidine-2,4-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 67413305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).