N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide

C15H21N5O — CID 80771008

IUPACN,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
SMILESCCCNc1nc(NCC(=O)N(C)C)c2ccccc2n1
InChIInChI=1S/C15H21N5O/c1-4-9-16-15-18-12-8-6-5-7-11(12)14(19-15)17-10-13(21)20(2)3/h5-8H,4,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMLYRROINUGFNGV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.95
Rot. Bonds6

About N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide

N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide (PubChem CID 80771008) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
PubChem CID80771008
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
SMILESCCCNc1nc(NCC(=O)N(C)C)c2ccccc2n1
InChIInChI=1S/C15H21N5O/c1-4-9-16-15-18-12-8-6-5-7-11(12)14(19-15)17-10-13(21)20(2)3/h5-8H,4,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMLYRROINUGFNGV-UHFFFAOYSA-N
XLogP1.95
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide (CID 80771008) is N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide is CCCNc1nc(NCC(=O)N(C)C)c2ccccc2n1.
What is the InChIKey of N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide?
The InChIKey is MLYRROINUGFNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-9-16-15-18-12-8-6-5-7-11(12)14(19-15)17-10-13(21)20(2)3/h5-8H,4,9-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide?
N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 80771008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).