2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine

C12H16N2 — CID 58717201

IUPAC2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1c1ccc(C)cc1
InChIInChI=1S/C12H16N2/c1-10-4-6-12(7-5-10)14-9-3-8-13-11(14)2/h4-7H,3,8-9H2,1-2H3
InChIKeyJDLWWTNLPCXTCO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.62
Rot. Bonds1

About 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine

2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 58717201) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine
PubChem CID58717201
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine
SMILESCC1=NCCCN1c1ccc(C)cc1
InChIInChI=1S/C12H16N2/c1-10-4-6-12(7-5-10)14-9-3-8-13-11(14)2/h4-7H,3,8-9H2,1-2H3
InChIKeyJDLWWTNLPCXTCO-UHFFFAOYSA-N
XLogP2.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine (CID 58717201) is 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine is CC1=NCCCN1c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is JDLWWTNLPCXTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-4-6-12(7-5-10)14-9-3-8-13-11(14)2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine?
2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 58717201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).