[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H17F2N3 — CID 81426125

IUPAC[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(-c2cc(F)cc(F)c2)nc2c1CC(CN)CC2
InChIInChI=1S/C16H17F2N3/c1-9-14-4-10(8-19)2-3-15(14)21-16(20-9)11-5-12(17)7-13(18)6-11/h5-7,10H,2-4,8,19H2,1H3
InChIKeyWSYCBXHXWZEUOE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.79
Rot. Bonds2

About [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81426125) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81426125
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(-c2cc(F)cc(F)c2)nc2c1CC(CN)CC2
InChIInChI=1S/C16H17F2N3/c1-9-14-4-10(8-19)2-3-15(14)21-16(20-9)11-5-12(17)7-13(18)6-11/h5-7,10H,2-4,8,19H2,1H3
InChIKeyWSYCBXHXWZEUOE-UHFFFAOYSA-N
XLogP2.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81426125) is [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1nc(-c2cc(F)cc(F)c2)nc2c1CC(CN)CC2.
What is the InChIKey of [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is WSYCBXHXWZEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-9-14-4-10(8-19)2-3-15(14)21-16(20-9)11-5-12(17)7-13(18)6-11/h5-7,10H,2-4,8,19H2,1H3.
What are the key properties of [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 289.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81426125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).