4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide

C11H21IN2 — CID 144662709

IUPAC4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide
SMILESCC1CC(C(C)C)=NC(C(C)C)=N1.I
InChIInChI=1S/C11H20N2.HI/c1-7(2)10-6-9(5)12-11(13-10)8(3)4;/h7-9H,6H2,1-5H3;1H
InChIKeySSJJKOKPNRXTFZ-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.55
Rot. Bonds2

About 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide

4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide (PubChem CID 144662709) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide.

Molecular Properties

Compound Name4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide
PubChem CID144662709
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide
SMILESCC1CC(C(C)C)=NC(C(C)C)=N1.I
InChIInChI=1S/C11H20N2.HI/c1-7(2)10-6-9(5)12-11(13-10)8(3)4;/h7-9H,6H2,1-5H3;1H
InChIKeySSJJKOKPNRXTFZ-UHFFFAOYSA-N
XLogP3.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-5-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine
CID 155109534
(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 162583645
6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 162583642
2-methyl-3-propan-2-yl-2H-azirine
CID 123721159
3,5-di(propan-2-yl)-4H-pyrazole
CID 58961217
4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 20730304
2-propan-2-yl-3aH-benzimidazole
CID 53400241
4-methyl-1,2-di(propan-2-yl)cyclopentene
CID 140883778
3-propan-2-yl-4,5-dihydro-1H-pyrazole
CID 58111212
5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
CID 138457030
2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine
CID 70181217
5-chloro-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 155273382

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide?
The IUPAC name of 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide (CID 144662709) is 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide.
What is the SMILES notation for 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide?
The canonical SMILES for 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide is CC1CC(C(C)C)=NC(C(C)C)=N1.I.
What is the InChIKey of 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide?
The InChIKey is SSJJKOKPNRXTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.HI/c1-7(2)10-6-9(5)12-11(13-10)8(3)4;/h7-9H,6H2,1-5H3;1H.
What are the key properties of 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide?
4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide has a molecular weight of 308.21 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-di(propan-2-yl)-4,5-dihydropyrimidine;hydroiodide is sourced from PubChem (CID 144662709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).