2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H21N3O — CID 116728659

IUPAC2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCC(OC)c1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C13H21N3O/c1-3-6-11(17-2)13-15-10-8-5-4-7-9(10)12(14)16-13/h11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyOJRAQSLCMOHLQR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.43
Rot. Bonds4

About 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 116728659) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID116728659
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCC(OC)c1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C13H21N3O/c1-3-6-11(17-2)13-15-10-8-5-4-7-9(10)12(14)16-13/h11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyOJRAQSLCMOHLQR-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(1-methoxybutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 116706258
2-(1-methoxybutyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116729133
2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 79616020
2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728661
2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472079
[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473568
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665
6-ethyl-5-iodo-2-(1-methoxybutyl)pyrimidin-4-amine
CID 116729582
2-(1-methoxybutyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741127
4-(1-methoxybutyl)-6-methyl-1,3,5-triazin-2-amine
CID 116734001
2-(1-methoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743065
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 116728659) is 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCCC(OC)c1nc(N)c2c(n1)CCCC2.
What is the InChIKey of 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is OJRAQSLCMOHLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-6-11(17-2)13-15-10-8-5-4-7-9(10)12(14)16-13/h11H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 116728659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).