1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine

C11H17N3 — CID 80503862

IUPAC1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
SMILESCc1nc(C(C)N)nc2c1CCCC2
InChIInChI=1S/C11H17N3/c1-7(12)11-13-8(2)9-5-3-4-6-10(9)14-11/h7H,3-6,12H2,1-2H3
InChIKeyLFCQPFQPSZJSJI-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.68
Rot. Bonds1

About 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine

1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine (PubChem CID 80503862) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
PubChem CID80503862
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
SMILESCc1nc(C(C)N)nc2c1CCCC2
InChIInChI=1S/C11H17N3/c1-7(12)11-13-8(2)9-5-3-4-6-10(9)14-11/h7H,3-6,12H2,1-2H3
InChIKeyLFCQPFQPSZJSJI-UHFFFAOYSA-N
XLogP1.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)propan-1-amine
CID 115345273
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 79616020
4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline
CID 23057759
1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)ethanamine
CID 77361370
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624
1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 68969857
2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476583
1-(4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-N-methylethanamine
CID 105496729
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane
CID 178044254
2-methyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975246
(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-4-yl)hydrazine
CID 62314525

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
The IUPAC name of 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine (CID 80503862) is 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
The canonical SMILES for 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine is Cc1nc(C(C)N)nc2c1CCCC2.
What is the InChIKey of 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
The InChIKey is LFCQPFQPSZJSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7(12)11-13-8(2)9-5-3-4-6-10(9)14-11/h7H,3-6,12H2,1-2H3.
What are the key properties of 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine is sourced from PubChem (CID 80503862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).