N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine

C10H15N3 — CID 54589513

IUPACN,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine
SMILESC/N=c1/c2c(ncn1C)CCCC2
InChIInChI=1S/C10H15N3/c1-11-10-8-5-3-4-6-9(8)12-7-13(10)2/h7H,3-6H2,1-2H3/b11-10-
InChIKeyUVGMJJAIQDKXPX-KHPPLWFESA-N
MW177.25 g/mol
LogP0.83
Rot. Bonds

About N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine

N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine (PubChem CID 54589513) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine.

Molecular Properties

Compound NameN,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine
PubChem CID54589513
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine
SMILESC/N=c1/c2c(ncn1C)CCCC2
InChIInChI=1S/C10H15N3/c1-11-10-8-5-3-4-6-9(8)12-7-13(10)2/h7H,3-6H2,1-2H3/b11-10-
InChIKeyUVGMJJAIQDKXPX-KHPPLWFESA-N
XLogP0.83
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-5,6,7,8-tetrahydro-4H-quinazoline
CID 21341298
3-methyl-5,6,7,8-tetrahydro-4H-quinazoline
CID 68330570
1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-4-amine
CID 142625788
N,3-diethyl-5,6,7,8-tetrahydroquinazolin-4-imine
CID 54589514
N,3-dipropyl-5,6,7,8-tetrahydroquinazolin-4-imine
CID 54589594

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
The IUPAC name of N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine (CID 54589513) is N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine.
What is the SMILES notation for N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
The canonical SMILES for N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine is C/N=c1/c2c(ncn1C)CCCC2.
What is the InChIKey of N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
The InChIKey is UVGMJJAIQDKXPX-KHPPLWFESA-N. The full InChI is InChI=1S/C10H15N3/c1-11-10-8-5-3-4-6-9(8)12-7-13(10)2/h7H,3-6H2,1-2H3/b11-10-.
What are the key properties of N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine?
N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine has a molecular weight of 177.25 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5,6,7,8-tetrahydroquinazolin-4-imine is sourced from PubChem (CID 54589513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).