1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride

C11H15ClN2 — CID 3087477

IUPAC1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride
SMILESCN1C=NCC(c2ccccc2)C1.Cl
InChIInChI=1S/C11H14N2.ClH/c1-13-8-11(7-12-9-13)10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3;1H
InChIKeyVIXTVRMXGDUSLG-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.17
Rot. Bonds1

About 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride

1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride (PubChem CID 3087477) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride
PubChem CID3087477
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride
SMILESCN1C=NCC(c2ccccc2)C1.Cl
InChIInChI=1S/C11H14N2.ClH/c1-13-8-11(7-12-9-13)10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3;1H
InChIKeyVIXTVRMXGDUSLG-UHFFFAOYSA-N
XLogP2.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
The IUPAC name of 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride (CID 3087477) is 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride.
What is the SMILES notation for 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
The canonical SMILES for 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride is CN1C=NCC(c2ccccc2)C1.Cl.
What is the InChIKey of 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
The InChIKey is VIXTVRMXGDUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.ClH/c1-13-8-11(7-12-9-13)10-5-3-2-4-6-10;/h2-6,9,11H,7-8H2,1H3;1H.
What are the key properties of 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride?
1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride has a molecular weight of 210.71 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride is sourced from PubChem (CID 3087477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).