(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine

C7H12N2 — CID 155371544

IUPAC(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine
SMILESC/C=C1/CN=CN[C@@H]1C
InChIInChI=1S/C7H12N2/c1-3-7-4-8-5-9-6(7)2/h3,5-6H,4H2,1-2H3,(H,8,9)/b7-3-/t6-/m1/s1
InChIKeySBPCGMNKOQURHW-NPQKIFFKSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds

About (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine

(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine (PubChem CID 155371544) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine
PubChem CID155371544
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine
SMILESC/C=C1/CN=CN[C@@H]1C
InChIInChI=1S/C7H12N2/c1-3-7-4-8-5-9-6(7)2/h3,5-6H,4H2,1-2H3,(H,8,9)/b7-3-/t6-/m1/s1
InChIKeySBPCGMNKOQURHW-NPQKIFFKSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine (CID 155371544) is (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine is C/C=C1/CN=CN[C@@H]1C.
What is the InChIKey of (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is SBPCGMNKOQURHW-NPQKIFFKSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7-4-8-5-9-6(7)2/h3,5-6H,4H2,1-2H3,(H,8,9)/b7-3-/t6-/m1/s1.
What are the key properties of (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine?
(5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6R)-5-ethylidene-6-methyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 155371544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).