(6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine

C10H13BrN2O2 — CID 166889792

IUPAC(6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine
SMILESC=C1OCCO/C1=C1/CC(Br)N=C(C)N1
InChIInChI=1S/C10H13BrN2O2/c1-6-10(15-4-3-14-6)8-5-9(11)13-7(2)12-8/h9H,1,3-5H2,2H3,(H,12,13)/b10-8-
InChIKeyIIJXASLXNVJEQU-NTMALXAHSA-N
MW273.13 g/mol
LogP1.89
Rot. Bonds

About (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine

(6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine (PubChem CID 166889792) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name(6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine
PubChem CID166889792
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine
SMILESC=C1OCCO/C1=C1/CC(Br)N=C(C)N1
InChIInChI=1S/C10H13BrN2O2/c1-6-10(15-4-3-14-6)8-5-9(11)13-7(2)12-8/h9H,1,3-5H2,2H3,(H,12,13)/b10-8-
InChIKeyIIJXASLXNVJEQU-NTMALXAHSA-N
XLogP1.89
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine?
The IUPAC name of (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine (CID 166889792) is (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine.
What is the SMILES notation for (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine?
The canonical SMILES for (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine is C=C1OCCO/C1=C1/CC(Br)N=C(C)N1.
What is the InChIKey of (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine?
The InChIKey is IIJXASLXNVJEQU-NTMALXAHSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-10(15-4-3-14-6)8-5-9(11)13-7(2)12-8/h9H,1,3-5H2,2H3,(H,12,13)/b10-8-.
What are the key properties of (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine?
(6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine has a molecular weight of 273.13 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-bromo-2-methyl-6-(3-methylidene-1,4-dioxan-2-ylidene)-4,5-dihydro-1H-pyrimidine is sourced from PubChem (CID 166889792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).