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

C5H11N3 — CID 12052714

IUPAC5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CN=C(N)NC1
InChIInChI=1S/C5H11N3/c1-4-2-7-5(6)8-3-4/h4H,2-3H2,1H3,(H3,6,7,8)
InChIKeyOFPWREAHCPFJQM-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.46
Rot. Bonds

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

5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 12052714) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID12052714
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CN=C(N)NC1
InChIInChI=1S/C5H11N3/c1-4-2-7-5(6)8-3-4/h4H,2-3H2,1H3,(H3,6,7,8)
InChIKeyOFPWREAHCPFJQM-UHFFFAOYSA-N
XLogP-0.46
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 12052714) is 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine is CC1CN=C(N)NC1.
What is the InChIKey of 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is OFPWREAHCPFJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-4-2-7-5(6)8-3-4/h4H,2-3H2,1H3,(H3,6,7,8).
What are the key properties of 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 113.16 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 12052714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).