1,4-dihydropyrimidine-2,5,6-triamine

C4H9N5 — CID 22129274

IUPAC1,4-dihydropyrimidine-2,5,6-triamine
SMILESNC1=NCC(N)=C(N)N1
InChIInChI=1S/C4H9N5/c5-2-1-8-4(7)9-3(2)6/h1,5-6H2,(H3,7,8,9)
InChIKeyCYSOBTICRNYDKY-UHFFFAOYSA-N
MW127.15 g/mol
LogP-2.01
Rot. Bonds

About 1,4-dihydropyrimidine-2,5,6-triamine

1,4-dihydropyrimidine-2,5,6-triamine (PubChem CID 22129274) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1,4-dihydropyrimidine-2,5,6-triamine.

Molecular Properties

Compound Name1,4-dihydropyrimidine-2,5,6-triamine
PubChem CID22129274
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1,4-dihydropyrimidine-2,5,6-triamine
SMILESNC1=NCC(N)=C(N)N1
InChIInChI=1S/C4H9N5/c5-2-1-8-4(7)9-3(2)6/h1,5-6H2,(H3,7,8,9)
InChIKeyCYSOBTICRNYDKY-UHFFFAOYSA-N
XLogP-2.01
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrimidine-2,5,6-triamine?
The IUPAC name of 1,4-dihydropyrimidine-2,5,6-triamine (CID 22129274) is 1,4-dihydropyrimidine-2,5,6-triamine.
What is the SMILES notation for 1,4-dihydropyrimidine-2,5,6-triamine?
The canonical SMILES for 1,4-dihydropyrimidine-2,5,6-triamine is NC1=NCC(N)=C(N)N1.
What is the InChIKey of 1,4-dihydropyrimidine-2,5,6-triamine?
The InChIKey is CYSOBTICRNYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c5-2-1-8-4(7)9-3(2)6/h1,5-6H2,(H3,7,8,9).
What are the key properties of 1,4-dihydropyrimidine-2,5,6-triamine?
1,4-dihydropyrimidine-2,5,6-triamine has a molecular weight of 127.15 g/mol, XLogP of -2.01, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrimidine-2,5,6-triamine is sourced from PubChem (CID 22129274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).