2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol

C14H23N3O — CID 133461051

IUPAC2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C14H23N3O/c1-3-8-17(9-10-18)14-12-6-4-5-7-13(12)15-11(2)16-14/h18H,3-10H2,1-2H3
InChIKeyPVVVIWXKLGNBRR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.87
Rot. Bonds5

About 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol

2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol (PubChem CID 133461051) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol
PubChem CID133461051
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C14H23N3O/c1-3-8-17(9-10-18)14-12-6-4-5-7-13(12)15-11(2)16-14/h18H,3-10H2,1-2H3
InChIKeyPVVVIWXKLGNBRR-UHFFFAOYSA-N
XLogP1.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol with MolForge

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Related Compounds

2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
CID 62832633
2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide
CID 133472820
N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472393
2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
CID 133472784
N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462016
2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol
CID 133462148
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]ethanol
CID 115672547
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
2-[(6-amino-2-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80796436
N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
CID 157030208

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol (CID 133461051) is 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol is CCCN(CCO)c1nc(C)nc2c1CCCC2.
What is the InChIKey of 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol?
The InChIKey is PVVVIWXKLGNBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-17(9-10-18)14-12-6-4-5-7-13(12)15-11(2)16-14/h18H,3-10H2,1-2H3.
What are the key properties of 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol?
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 133461051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).