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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Related Compounds

2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80813725
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80835823
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate
CID 90676310

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).