N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine

C16H28N4 — CID 81424985

IUPACN,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCNCC1CCc2nc(N(CC)CC)nc(C)c2C1
InChIInChI=1S/C16H28N4/c1-5-17-11-13-8-9-15-14(10-13)12(4)18-16(19-15)20(6-2)7-3/h13,17H,5-11H2,1-4H3
InChIKeyQZBFIANAWWKPKN-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.35
Rot. Bonds6

About N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine

N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 81424985) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID81424985
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCNCC1CCc2nc(N(CC)CC)nc(C)c2C1
InChIInChI=1S/C16H28N4/c1-5-17-11-13-8-9-15-14(10-13)12(4)18-16(19-15)20(6-2)7-3/h13,17H,5-11H2,1-4H3
InChIKeyQZBFIANAWWKPKN-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 81424985) is N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is CCNCC1CCc2nc(N(CC)CC)nc(C)c2C1.
What is the InChIKey of N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is QZBFIANAWWKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-17-11-13-8-9-15-14(10-13)12(4)18-16(19-15)20(6-2)7-3/h13,17H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(ethylaminomethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 81424985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).