1,2,3,4-tetrahydropyrimidin-5-amine

C4H9N3 — CID 70078095

IUPAC1,2,3,4-tetrahydropyrimidin-5-amine
SMILESNC1=CNCNC1
InChIInChI=1S/C4H9N3/c5-4-1-6-3-7-2-4/h1,6-7H,2-3,5H2
InChIKeyLOEICEKMYULCTR-UHFFFAOYSA-N
MW99.14 g/mol
LogP-1.06
Rot. Bonds

About 1,2,3,4-tetrahydropyrimidin-5-amine

1,2,3,4-tetrahydropyrimidin-5-amine (PubChem CID 70078095) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrimidin-5-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrimidin-5-amine
PubChem CID70078095
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1,2,3,4-tetrahydropyrimidin-5-amine
SMILESNC1=CNCNC1
InChIInChI=1S/C4H9N3/c5-4-1-6-3-7-2-4/h1,6-7H,2-3,5H2
InChIKeyLOEICEKMYULCTR-UHFFFAOYSA-N
XLogP-1.06
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrimidin-5-amine?
The IUPAC name of 1,2,3,4-tetrahydropyrimidin-5-amine (CID 70078095) is 1,2,3,4-tetrahydropyrimidin-5-amine.
What is the SMILES notation for 1,2,3,4-tetrahydropyrimidin-5-amine?
The canonical SMILES for 1,2,3,4-tetrahydropyrimidin-5-amine is NC1=CNCNC1.
What is the InChIKey of 1,2,3,4-tetrahydropyrimidin-5-amine?
The InChIKey is LOEICEKMYULCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c5-4-1-6-3-7-2-4/h1,6-7H,2-3,5H2.
What are the key properties of 1,2,3,4-tetrahydropyrimidin-5-amine?
1,2,3,4-tetrahydropyrimidin-5-amine has a molecular weight of 99.14 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrimidin-5-amine is sourced from PubChem (CID 70078095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).