2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

C14H23N3O — CID 62191471

IUPAC2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(CCOC)nc2c1CCCC2
InChIInChI=1S/C14H23N3O/c1-3-9-15-14-11-6-4-5-7-12(11)16-13(17-14)8-10-18-2/h3-10H2,1-2H3,(H,15,16,17)
InChIKeyTVKOFQMCCVXAJY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.37
Rot. Bonds6

About 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62191471) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62191471
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(CCOC)nc2c1CCCC2
InChIInChI=1S/C14H23N3O/c1-3-9-15-14-11-6-4-5-7-12(11)16-13(17-14)8-10-18-2/h3-10H2,1-2H3,(H,15,16,17)
InChIKeyTVKOFQMCCVXAJY-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62191471) is 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(CCOC)nc2c1CCCC2.
What is the InChIKey of 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is TVKOFQMCCVXAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-15-14-11-6-4-5-7-12(11)16-13(17-14)8-10-18-2/h3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62191471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).