iodomethane;4-methyl-6,7-dihydroquinazoline

C10H13IN2 — CID 90762040

IUPACiodomethane;4-methyl-6,7-dihydroquinazoline
SMILESCI.Cc1ncnc2c1=CCCC=2
InChIInChI=1S/C9H10N2.CH3I/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2/h4-6H,2-3H2,1H3;1H3
InChIKeyDBMTZRKABAFJCB-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.19
Rot. Bonds

About iodomethane;4-methyl-6,7-dihydroquinazoline

iodomethane;4-methyl-6,7-dihydroquinazoline (PubChem CID 90762040) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is iodomethane;4-methyl-6,7-dihydroquinazoline.

Molecular Properties

Compound Nameiodomethane;4-methyl-6,7-dihydroquinazoline
PubChem CID90762040
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Nameiodomethane;4-methyl-6,7-dihydroquinazoline
SMILESCI.Cc1ncnc2c1=CCCC=2
InChIInChI=1S/C9H10N2.CH3I/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2/h4-6H,2-3H2,1H3;1H3
InChIKeyDBMTZRKABAFJCB-UHFFFAOYSA-N
XLogP1.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-8H-quinazolin-8-ide;yttrium
CID 58945777
4-methyl-5H-quinazolin-5-ide;yttrium
CID 58945779
4-Methyl-6,7-dihydroquinazoline
CID 59065946
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
Ethane;4-methyl-6,7-dihydroquinazoline
CID 90864738
Methanamine;4-methyl-6,7-dihydroquinazoline
CID 90872144
Fluoromethane;4-methyl-6,7-dihydroquinazoline
CID 91279701
Methylboronic acid;4-methyl-6,7-dihydroquinazoline
CID 91469651
(4E,5E)-4,5-di(ethylidene)-2,6-dimethylpyrimidine
CID 130351162
4-methylidene-6-[(Z)-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-5H-pyrimidine
CID 132046291
(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine
CID 139435840

Frequently Asked Questions

What is the IUPAC name of iodomethane;4-methyl-6,7-dihydroquinazoline?
The IUPAC name of iodomethane;4-methyl-6,7-dihydroquinazoline (CID 90762040) is iodomethane;4-methyl-6,7-dihydroquinazoline.
What is the SMILES notation for iodomethane;4-methyl-6,7-dihydroquinazoline?
The canonical SMILES for iodomethane;4-methyl-6,7-dihydroquinazoline is CI.Cc1ncnc2c1=CCCC=2.
What is the InChIKey of iodomethane;4-methyl-6,7-dihydroquinazoline?
The InChIKey is DBMTZRKABAFJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.CH3I/c1-7-8-4-2-3-5-9(8)11-6-10-7;1-2/h4-6H,2-3H2,1H3;1H3.
What are the key properties of iodomethane;4-methyl-6,7-dihydroquinazoline?
iodomethane;4-methyl-6,7-dihydroquinazoline has a molecular weight of 288.13 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;4-methyl-6,7-dihydroquinazoline is sourced from PubChem (CID 90762040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).