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

C5H11N3 — CID 12621846

IUPAC1,4,5,6-tetrahydropyrimidin-2-ylmethanamine
SMILESNCC1=NCCCN1
InChIInChI=1S/C5H11N3/c6-4-5-7-2-1-3-8-5/h1-4,6H2,(H,7,8)
InChIKeyNKFVINLJQAYNAJ-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.66
Rot. Bonds1

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

1,4,5,6-tetrahydropyrimidin-2-ylmethanamine (PubChem CID 12621846) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrimidin-2-ylmethanamine
PubChem CID12621846
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1,4,5,6-tetrahydropyrimidin-2-ylmethanamine
SMILESNCC1=NCCCN1
InChIInChI=1S/C5H11N3/c6-4-5-7-2-1-3-8-5/h1-4,6H2,(H,7,8)
InChIKeyNKFVINLJQAYNAJ-UHFFFAOYSA-N
XLogP-0.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.66
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-ylmethanamine?
The IUPAC name of 1,4,5,6-tetrahydropyrimidin-2-ylmethanamine (CID 12621846) is 1,4,5,6-tetrahydropyrimidin-2-ylmethanamine.
What is the SMILES notation for 1,4,5,6-tetrahydropyrimidin-2-ylmethanamine?
The canonical SMILES for 1,4,5,6-tetrahydropyrimidin-2-ylmethanamine is NCC1=NCCCN1.
What is the InChIKey of 1,4,5,6-tetrahydropyrimidin-2-ylmethanamine?
The InChIKey is NKFVINLJQAYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c6-4-5-7-2-1-3-8-5/h1-4,6H2,(H,7,8).
What are the key properties of 1,4,5,6-tetrahydropyrimidin-2-ylmethanamine?
1,4,5,6-tetrahydropyrimidin-2-ylmethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.66, 1 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-ylmethanamine is sourced from PubChem (CID 12621846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).