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

C16H19N3O2 — CID 62202423

IUPAC2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc2c1CCCC2
InChIInChI=1S/C16H19N3O2/c1-17-16-11-5-3-4-6-12(11)18-15(19-16)10-7-8-14(21-2)13(20)9-10/h7-9,20H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyGAQAYZQGHLNQEL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.78
Rot. Bonds3

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

2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol (PubChem CID 62202423) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
PubChem CID62202423
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc2c1CCCC2
InChIInChI=1S/C16H19N3O2/c1-17-16-11-5-3-4-6-12(11)18-15(19-16)10-7-8-14(21-2)13(20)9-10/h7-9,20H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyGAQAYZQGHLNQEL-UHFFFAOYSA-N
XLogP2.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
2-methoxy-5-[4-(methylamino)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenol
CID 83201653
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
2-fluoro-4-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 136813750
2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
CID 62913656
2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114938362
2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106793023
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 104818200
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63479501
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291
2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 101176072

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol (CID 62202423) is 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol is CNc1nc(-c2ccc(OC)c(O)c2)nc2c1CCCC2.
What is the InChIKey of 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
The InChIKey is GAQAYZQGHLNQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-16-11-5-3-4-6-12(11)18-15(19-16)10-7-8-14(21-2)13(20)9-10/h7-9,20H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol?
2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol has a molecular weight of 285.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol is sourced from PubChem (CID 62202423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).