4,5-dihydropyrimidin-6-amine

C4H7N3 — CID 91296069

IUPAC4,5-dihydropyrimidin-6-amine
SMILESNC1=NC=NCC1
InChIInChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h3H,1-2H2,(H2,5,6,7)
InChIKeyAJUBGEKZAUGXSI-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.22
Rot. Bonds

About 4,5-dihydropyrimidin-6-amine

4,5-dihydropyrimidin-6-amine (PubChem CID 91296069) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 4,5-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name4,5-dihydropyrimidin-6-amine
PubChem CID91296069
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name4,5-dihydropyrimidin-6-amine
SMILESNC1=NC=NCC1
InChIInChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h3H,1-2H2,(H2,5,6,7)
InChIKeyAJUBGEKZAUGXSI-UHFFFAOYSA-N
XLogP-0.22
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydropyrimidin-6-amine?
The IUPAC name of 4,5-dihydropyrimidin-6-amine (CID 91296069) is 4,5-dihydropyrimidin-6-amine.
What is the SMILES notation for 4,5-dihydropyrimidin-6-amine?
The canonical SMILES for 4,5-dihydropyrimidin-6-amine is NC1=NC=NCC1.
What is the InChIKey of 4,5-dihydropyrimidin-6-amine?
The InChIKey is AJUBGEKZAUGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h3H,1-2H2,(H2,5,6,7).
What are the key properties of 4,5-dihydropyrimidin-6-amine?
4,5-dihydropyrimidin-6-amine has a molecular weight of 97.12 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydropyrimidin-6-amine is sourced from PubChem (CID 91296069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).