1,4-dihydropyrimidin-4-amine

C4H7N3 — CID 55281263

IUPAC1,4-dihydropyrimidin-4-amine
SMILESNC1C=CNC=N1
InChIInChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1-4H,5H2,(H,6,7)
InChIKeyWJBDMJVRAAMWNS-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.58
Rot. Bonds

About 1,4-dihydropyrimidin-4-amine

1,4-dihydropyrimidin-4-amine (PubChem CID 55281263) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name1,4-dihydropyrimidin-4-amine
PubChem CID55281263
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1,4-dihydropyrimidin-4-amine
SMILESNC1C=CNC=N1
InChIInChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1-4H,5H2,(H,6,7)
InChIKeyWJBDMJVRAAMWNS-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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Related Compounds

1,4-Dihydropyrimidine
CID 5248048
1H-1,3-Diazepine
CID 12312962
2-Amino-1,4-dihydropyrimidine
CID 10290750
4-Methylene-pyrimidine
CID 45080137
Allylimidazolium chloride
CID 66634019
4-Methyl(4-amino)pyrimidine
CID 129876017
Selenoxotetrahydropyrimidine
CID 138858457
4,4-difluoro-1H-pyrimidine
CID 66850004
2-Fluoro-1,4-dihydropyrimidine
CID 89428894
6-Fluoro-1,4-dihydropyrimidine
CID 130243578
4-fluoro-1H-pyrimidine-2,4-diamine
CID 153727178
3,4-Dihydro-3-methyl-4-pyrimidinamine
CID 45116685

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrimidin-4-amine?
The IUPAC name of 1,4-dihydropyrimidin-4-amine (CID 55281263) is 1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for 1,4-dihydropyrimidin-4-amine?
The canonical SMILES for 1,4-dihydropyrimidin-4-amine is NC1C=CNC=N1.
What is the InChIKey of 1,4-dihydropyrimidin-4-amine?
The InChIKey is WJBDMJVRAAMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-4-1-2-6-3-7-4/h1-4H,5H2,(H,6,7).
What are the key properties of 1,4-dihydropyrimidin-4-amine?
1,4-dihydropyrimidin-4-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-4-amine is sourced from PubChem (CID 55281263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).