N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine

C14H21N5 — CID 143396865

IUPACN'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)Cc1nc(NCCCN)c2ccccc2n1
InChIInChI=1S/C14H21N5/c1-19(2)10-13-17-12-7-4-3-6-11(12)14(18-13)16-9-5-8-15/h3-4,6-7H,5,8-10,15H2,1-2H3,(H,16,17,18)
InChIKeyLTFPLINCNWEURO-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.45
Rot. Bonds6

About N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine

N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine (PubChem CID 143396865) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
PubChem CID143396865
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
SMILESCN(C)Cc1nc(NCCCN)c2ccccc2n1
InChIInChI=1S/C14H21N5/c1-19(2)10-13-17-12-7-4-3-6-11(12)14(18-13)16-9-5-8-15/h3-4,6-7H,5,8-10,15H2,1-2H3,(H,16,17,18)
InChIKeyLTFPLINCNWEURO-UHFFFAOYSA-N
XLogP1.45
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 21003978
2-[(dimethylamino)methyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003940
2,3-dihydro-1H-indene-2-carbaldehyde;N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
CID 143396564
2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58796990
N',N'-dimethyl-N-[2-[[methyl(thian-4-yl)amino]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 58797369
3-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58797282
N',N'-dimethyl-N-[2-[[methyl-[(2-methylsulfanylphenyl)methyl]amino]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 58797160
N'-[2-[[(3-chloro-4-methylphenyl)methyl-methylamino]methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
CID 143396502
N-methyl-N'-[2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396543
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
CID 20982620
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine;ethane;N-[2-(trifluoromethyl)phenyl]formamide
CID 143396648
N-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 58797005

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine (CID 143396865) is N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine is CN(C)Cc1nc(NCCCN)c2ccccc2n1.
What is the InChIKey of N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine?
The InChIKey is LTFPLINCNWEURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-19(2)10-13-17-12-7-4-3-6-11(12)14(18-13)16-9-5-8-15/h3-4,6-7H,5,8-10,15H2,1-2H3,(H,16,17,18).
What are the key properties of N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine?
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 143396865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).