(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline

C10H14N2 — CID 91805248

IUPAC(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline
SMILESCC1=CC2C(C=C1)N=CN[C@H]2C
InChIInChI=1S/C10H14N2/c1-7-3-4-10-9(5-7)8(2)11-6-12-10/h3-6,8-10H,1-2H3,(H,11,12)/t8-,9?,10?/m0/s1
InChIKeyHUXPLPKMQYJIBY-IDKOKCKLSA-N
MW162.24 g/mol
LogP1.51
Rot. Bonds

About (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline

(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline (PubChem CID 91805248) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline
PubChem CID91805248
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline
SMILESCC1=CC2C(C=C1)N=CN[C@H]2C
InChIInChI=1S/C10H14N2/c1-7-3-4-10-9(5-7)8(2)11-6-12-10/h3-6,8-10H,1-2H3,(H,11,12)/t8-,9?,10?/m0/s1
InChIKeyHUXPLPKMQYJIBY-IDKOKCKLSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
5-Methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 21336462
N,N-dimethyl-3,4,4a,8a-tetrahydroquinazolin-4-amine
CID 53695724
3a,9,9a,9b-tetrahydro-1H-perimidin-2-amine
CID 89636855
1,4,6,8a-Tetrahydroquinazoline
CID 90688134
1,4,7,8-Tetrahydroquinazoline
CID 91106721
10-Methyl-5-propan-2-yl-7,9-diazabicyclo[4.3.1]deca-2,4,7-triene
CID 91183552
4,4a,9,9a-tetrahydro-1H-cyclohepta[d]pyrimidine
CID 91364002
(8aS)-1,4,4a,8a-tetrahydroquinazoline
CID 91496825
1,4,4a,5-Tetrahydroquinazoline
CID 91612703
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
4-Methyl-1,4,5,6-tetrahydroquinazoline
CID 141793082

Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline?
The IUPAC name of (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline (CID 91805248) is (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline.
What is the SMILES notation for (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline?
The canonical SMILES for (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline is CC1=CC2C(C=C1)N=CN[C@H]2C.
What is the InChIKey of (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline?
The InChIKey is HUXPLPKMQYJIBY-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-3-4-10-9(5-7)8(2)11-6-12-10/h3-6,8-10H,1-2H3,(H,11,12)/t8-,9?,10?/m0/s1.
What are the key properties of (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline?
(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline has a molecular weight of 162.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline is sourced from PubChem (CID 91805248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).