N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide

C13H20N4O — CID 45227832

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
SMILESCCC(=O)NC1CCCc2nc(N(C)C)ncc21
InChIInChI=1S/C13H20N4O/c1-4-12(18)15-10-6-5-7-11-9(10)8-14-13(16-11)17(2)3/h8,10H,4-7H2,1-3H3,(H,15,18)
InChIKeyVHHIGBKMWCHYJV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds3

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide (PubChem CID 45227832) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
PubChem CID45227832
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
SMILESCCC(=O)NC1CCCc2nc(N(C)C)ncc21
InChIInChI=1S/C13H20N4O/c1-4-12(18)15-10-6-5-7-11-9(10)8-14-13(16-11)17(2)3/h8,10H,4-7H2,1-3H3,(H,15,18)
InChIKeyVHHIGBKMWCHYJV-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide (CID 45227832) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide is CCC(=O)NC1CCCc2nc(N(C)C)ncc21.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
The InChIKey is VHHIGBKMWCHYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-12(18)15-10-6-5-7-11-9(10)8-14-13(16-11)17(2)3/h8,10H,4-7H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide is sourced from PubChem (CID 45227832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).