1,4,5,6-tetrahydropyrimidin-2-amine

C4H9N3 — CID 3287412

IUPAC1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCCN1
InChIInChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
InChIKeyPEHDFSFYZKSKGH-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.71
Rot. Bonds

About 1,4,5,6-tetrahydropyrimidin-2-amine

1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 3287412) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID3287412
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCCN1
InChIInChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
InChIKeyPEHDFSFYZKSKGH-UHFFFAOYSA-N
XLogP-0.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 1,4,5,6-tetrahydropyrimidin-2-amine (CID 3287412) is 1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCCN1.
What is the InChIKey of 1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is PEHDFSFYZKSKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7).
What are the key properties of 1,4,5,6-tetrahydropyrimidin-2-amine?
1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 99.14 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 3287412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).