3-methyl-2,4-dihydro-1H-pyrimidine

C5H10N2 — CID 19759617

IUPAC3-methyl-2,4-dihydro-1H-pyrimidine
SMILESCN1CC=CNC1
InChIInChI=1S/C5H10N2/c1-7-4-2-3-6-5-7/h2-3,6H,4-5H2,1H3
InChIKeyVXDUTTYWDIQPLN-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.01
Rot. Bonds

About 3-methyl-2,4-dihydro-1H-pyrimidine

3-methyl-2,4-dihydro-1H-pyrimidine (PubChem CID 19759617) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-methyl-2,4-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-methyl-2,4-dihydro-1H-pyrimidine
PubChem CID19759617
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-methyl-2,4-dihydro-1H-pyrimidine
SMILESCN1CC=CNC1
InChIInChI=1S/C5H10N2/c1-7-4-2-3-6-5-7/h2-3,6H,4-5H2,1H3
InChIKeyVXDUTTYWDIQPLN-UHFFFAOYSA-N
XLogP-0.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dihydro-1H-pyrimidine?
The IUPAC name of 3-methyl-2,4-dihydro-1H-pyrimidine (CID 19759617) is 3-methyl-2,4-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-methyl-2,4-dihydro-1H-pyrimidine?
The canonical SMILES for 3-methyl-2,4-dihydro-1H-pyrimidine is CN1CC=CNC1.
What is the InChIKey of 3-methyl-2,4-dihydro-1H-pyrimidine?
The InChIKey is VXDUTTYWDIQPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-7-4-2-3-6-5-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-methyl-2,4-dihydro-1H-pyrimidine?
3-methyl-2,4-dihydro-1H-pyrimidine has a molecular weight of 98.15 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dihydro-1H-pyrimidine is sourced from PubChem (CID 19759617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).