2-methyl-5,6-dihydro-4H-pyrimidin-1-amine

C5H11N3 — CID 142204479

IUPAC2-methyl-5,6-dihydro-4H-pyrimidin-1-amine
SMILESCC1=NCCCN1N
InChIInChI=1S/C5H11N3/c1-5-7-3-2-4-8(5)6/h2-4,6H2,1H3
InChIKeyOIXLOQGCUYZNTC-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.02
Rot. Bonds

About 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine

2-methyl-5,6-dihydro-4H-pyrimidin-1-amine (PubChem CID 142204479) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-pyrimidin-1-amine
PubChem CID142204479
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-methyl-5,6-dihydro-4H-pyrimidin-1-amine
SMILESCC1=NCCCN1N
InChIInChI=1S/C5H11N3/c1-5-7-3-2-4-8(5)6/h2-4,6H2,1H3
InChIKeyOIXLOQGCUYZNTC-UHFFFAOYSA-N
XLogP-0.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine?
The IUPAC name of 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine (CID 142204479) is 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine is CC1=NCCCN1N.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine?
The InChIKey is OIXLOQGCUYZNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5-7-3-2-4-8(5)6/h2-4,6H2,1H3.
What are the key properties of 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine?
2-methyl-5,6-dihydro-4H-pyrimidin-1-amine has a molecular weight of 113.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dihydro-4H-pyrimidin-1-amine is sourced from PubChem (CID 142204479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).