1,4-dihydropyrimidin-6-amine

C4H7N3 — CID 66649122

IUPAC1,4-dihydropyrimidin-6-amine
SMILESNC1=CCN=CN1
InChIInChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1,3H,2,5H2,(H,6,7)
InChIKeyKBFLENAAHFHQFJ-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.58
Rot. Bonds

About 1,4-dihydropyrimidin-6-amine

1,4-dihydropyrimidin-6-amine (PubChem CID 66649122) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name1,4-dihydropyrimidin-6-amine
PubChem CID66649122
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1,4-dihydropyrimidin-6-amine
SMILESNC1=CCN=CN1
InChIInChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1,3H,2,5H2,(H,6,7)
InChIKeyKBFLENAAHFHQFJ-UHFFFAOYSA-N
XLogP-0.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrimidin-6-amine?
The IUPAC name of 1,4-dihydropyrimidin-6-amine (CID 66649122) is 1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 1,4-dihydropyrimidin-6-amine is NC1=CCN=CN1.
What is the InChIKey of 1,4-dihydropyrimidin-6-amine?
The InChIKey is KBFLENAAHFHQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1,3H,2,5H2,(H,6,7).
What are the key properties of 1,4-dihydropyrimidin-6-amine?
1,4-dihydropyrimidin-6-amine has a molecular weight of 97.12 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 66649122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).