3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine

C11H14N2 — CID 21458245

IUPAC3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine
SMILESCN1CC=C(c2ccccc2)NC1
InChIInChI=1S/C11H14N2/c1-13-8-7-11(12-9-13)10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3
InChIKeyUGDCGMGDLWXMSA-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.52
Rot. Bonds1

About 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine

3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine (PubChem CID 21458245) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine
PubChem CID21458245
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine
SMILESCN1CC=C(c2ccccc2)NC1
InChIInChI=1S/C11H14N2/c1-13-8-7-11(12-9-13)10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3
InChIKeyUGDCGMGDLWXMSA-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine?
The IUPAC name of 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine (CID 21458245) is 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine?
The canonical SMILES for 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine is CN1CC=C(c2ccccc2)NC1.
What is the InChIKey of 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine?
The InChIKey is UGDCGMGDLWXMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-13-8-7-11(12-9-13)10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3.
What are the key properties of 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine?
3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2,4-dihydro-1H-pyrimidine is sourced from PubChem (CID 21458245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).