N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine

C16H27N3O — CID 81425453

IUPACN-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
SMILESCOCCc1nc(C)c2c(n1)CCC(CNC(C)C)C2
InChIInChI=1S/C16H27N3O/c1-11(2)17-10-13-5-6-15-14(9-13)12(3)18-16(19-15)7-8-20-4/h11,13,17H,5-10H2,1-4H3
InChIKeyAZTCCTYGUGWOIJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.08
Rot. Bonds6

About N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine

N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine (PubChem CID 81425453) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
PubChem CID81425453
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
SMILESCOCCc1nc(C)c2c(n1)CCC(CNC(C)C)C2
InChIInChI=1S/C16H27N3O/c1-11(2)17-10-13-5-6-15-14(9-13)12(3)18-16(19-15)7-8-20-4/h11,13,17H,5-10H2,1-4H3
InChIKeyAZTCCTYGUGWOIJ-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine (CID 81425453) is N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine is COCCc1nc(C)c2c(n1)CCC(CNC(C)C)C2.
What is the InChIKey of N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
The InChIKey is AZTCCTYGUGWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)17-10-13-5-6-15-14(9-13)12(3)18-16(19-15)7-8-20-4/h11,13,17H,5-10H2,1-4H3.
What are the key properties of N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine?
N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine is sourced from PubChem (CID 81425453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).