6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine

C9H10FN3 — CID 153370422

IUPAC6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine
SMILESCNC1=C2C=C(F)C=CC2N=CN1
InChIInChI=1S/C9H10FN3/c1-11-9-7-4-6(10)2-3-8(7)12-5-13-9/h2-5,8,11H,1H3,(H,12,13)
InChIKeyBJUYNZPMXJIXKC-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.84
Rot. Bonds1

About 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine

6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine (PubChem CID 153370422) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine
PubChem CID153370422
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine
SMILESCNC1=C2C=C(F)C=CC2N=CN1
InChIInChI=1S/C9H10FN3/c1-11-9-7-4-6(10)2-3-8(7)12-5-13-9/h2-5,8,11H,1H3,(H,12,13)
InChIKeyBJUYNZPMXJIXKC-UHFFFAOYSA-N
XLogP0.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-7-(trifluoromethyl)-7,8-dihydro-4H-pyrido[2,3-d]pyrimidine
CID 69173603
6,7-Difluoro-3,8a-dihydroquinazolin-4-amine
CID 144514786
5-Fluoro-4-iodo-3,8a-dihydroquinazoline
CID 164115349
4-Methyl-6-(trifluoromethyl)-3,8a-dihydroquinazoline
CID 149166937
3,7,8,8a-Tetrahydroquinazoline
CID 91192785
3,8a-Dihydroquinazoline
CID 91312252
5-methyl-4-[(Z)-prop-1-enyl]-1,4-dihydropyrimidin-6-amine
CID 118973444
5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
CID 123831511
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,4-dihydropyrimidine
CID 124198945
3,8a-Dihydroquinazolin-3-ium;ethane
CID 142336221
4-Methyl-3,8a-dihydroquinazoline
CID 142987055
8-ethyl-4-methyl-4,7-dihydro-1H-pyrido[2,3-d]pyrimidin-2-amine
CID 148275077

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine (CID 153370422) is 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine is CNC1=C2C=C(F)C=CC2N=CN1.
What is the InChIKey of 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine?
The InChIKey is BJUYNZPMXJIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-11-9-7-4-6(10)2-3-8(7)12-5-13-9/h2-5,8,11H,1H3,(H,12,13).
What are the key properties of 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine?
6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine has a molecular weight of 179.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-3,8a-dihydroquinazolin-4-amine is sourced from PubChem (CID 153370422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).