6-ethyl-1,4-dihydropyrimidine-2,4-diamine

C6H12N4 — CID 126732468

IUPAC6-ethyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCCC1=CC(N)N=C(N)N1
InChIInChI=1S/C6H12N4/c1-2-4-3-5(7)10-6(8)9-4/h3,5H,2,7H2,1H3,(H3,8,9,10)
InChIKeyLZJDOOHMRIVMFR-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds1

About 6-ethyl-1,4-dihydropyrimidine-2,4-diamine

6-ethyl-1,4-dihydropyrimidine-2,4-diamine (PubChem CID 126732468) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-ethyl-1,4-dihydropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-1,4-dihydropyrimidine-2,4-diamine
PubChem CID126732468
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name6-ethyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCCC1=CC(N)N=C(N)N1
InChIInChI=1S/C6H12N4/c1-2-4-3-5(7)10-6(8)9-4/h3,5H,2,7H2,1H3,(H3,8,9,10)
InChIKeyLZJDOOHMRIVMFR-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 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-1,4-dihydropyrimidine-2,4-diamine (CID 126732468) is 6-ethyl-1,4-dihydropyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-1,4-dihydropyrimidine-2,4-diamine is CCC1=CC(N)N=C(N)N1.
What is the InChIKey of 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
The InChIKey is LZJDOOHMRIVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-4-3-5(7)10-6(8)9-4/h3,5H,2,7H2,1H3,(H3,8,9,10).
What are the key properties of 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
6-ethyl-1,4-dihydropyrimidine-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 6-ethyl-1,4-dihydropyrimidine-2,4-diamine is sourced from PubChem (CID 126732468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).