2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol

C15H16FN3O — CID 136813750

IUPAC2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
SMILESCNc1nc(-c2ccc(O)c(F)c2)nc2c1CCCC2
InChIInChI=1S/C15H16FN3O/c1-17-15-10-4-2-3-5-12(10)18-14(19-15)9-6-7-13(20)11(16)8-9/h6-8,20H,2-5H2,1H3,(H,17,18,19)
InChIKeyPQYIWJYTLXKWKR-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.91
Rot. Bonds2

About 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol

2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol (PubChem CID 136813750) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
PubChem CID136813750
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
SMILESCNc1nc(-c2ccc(O)c(F)c2)nc2c1CCCC2
InChIInChI=1S/C15H16FN3O/c1-17-15-10-4-2-3-5-12(10)18-14(19-15)9-6-7-13(20)11(16)8-9/h6-8,20H,2-5H2,1H3,(H,17,18,19)
InChIKeyPQYIWJYTLXKWKR-UHFFFAOYSA-N
XLogP2.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-fluorophenol
CID 136813751
2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 62202423
2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
CID 136927531
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291
2-[3-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115528392
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63479501
2-[4-(difluoromethyl)phenyl]-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115525301
[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63481875
N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190595
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 82801875

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
The IUPAC name of 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol (CID 136813750) is 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
The canonical SMILES for 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol is CNc1nc(-c2ccc(O)c(F)c2)nc2c1CCCC2.
What is the InChIKey of 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
The InChIKey is PQYIWJYTLXKWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-17-15-10-4-2-3-5-12(10)18-14(19-15)9-6-7-13(20)11(16)8-9/h6-8,20H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol has a molecular weight of 273.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol is sourced from PubChem (CID 136813750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).