1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline

C10H16N2 — CID 21341298

IUPAC1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline
SMILESCC1=NCC2=C(CCCC2)N1C
InChIInChI=1S/C10H16N2/c1-8-11-7-9-5-3-4-6-10(9)12(8)2/h3-7H2,1-2H3
InChIKeyGRRXFLHQPAITDJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.18
Rot. Bonds

About 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline

1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline (PubChem CID 21341298) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline.

Molecular Properties

Compound Name1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline
PubChem CID21341298
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline
SMILESCC1=NCC2=C(CCCC2)N1C
InChIInChI=1S/C10H16N2/c1-8-11-7-9-5-3-4-6-10(9)12(8)2/h3-7H2,1-2H3
InChIKeyGRRXFLHQPAITDJ-UHFFFAOYSA-N
XLogP2.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5,6,7,8,9-Octahydropyrrolo[2,1-b]quinazoline
CID 24870779
2-Methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 18740813
3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine
CID 67796859
3-methyl-5,6,7,8-tetrahydro-4H-quinazoline
CID 68330570
Ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 91507278
2,4-Dimethyl-1,4,5,6,7,8-hexahydroquinazoline
CID 117839128
(3S)-1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
CID 126756946
1,3,4-trimethyl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
CID 126757105
2-Methyl-4-methylidene-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine
CID 143526264
3-Butyl-2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine
CID 144396330
8,13-Dimethyl-8-aza-1-azoniatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene
CID 23344254
N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine
CID 54589513

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline?
The IUPAC name of 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline (CID 21341298) is 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline.
What is the SMILES notation for 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline?
The canonical SMILES for 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline is CC1=NCC2=C(CCCC2)N1C.
What is the InChIKey of 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline?
The InChIKey is GRRXFLHQPAITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-11-7-9-5-3-4-6-10(9)12(8)2/h3-7H2,1-2H3.
What are the key properties of 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline?
1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline has a molecular weight of 164.25 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline is sourced from PubChem (CID 21341298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).