3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one

C14H14ClN7O — CID 30834389

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
SMILESCN(C)c1nc(N)nc(Cn2cnc3ccc(Cl)cc3c2=O)n1
InChIInChI=1S/C14H14ClN7O/c1-21(2)14-19-11(18-13(16)20-14)6-22-7-17-10-4-3-8(15)5-9(10)12(22)23/h3-5,7H,6H2,1-2H3,(H2,16,18,19,20)
InChIKeyCNGIUSHASMEOOR-UHFFFAOYSA-N
MW331.77 g/mol
LogP0.93
Rot. Bonds3

About 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one (PubChem CID 30834389) has the molecular formula C14H14ClN7O and a molecular weight of 331.77 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
PubChem CID30834389
Molecular FormulaC14H14ClN7O
Molecular Weight331.77 g/mol
Exact Mass331.09
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
SMILESCN(C)c1nc(N)nc(Cn2cnc3ccc(Cl)cc3c2=O)n1
InChIInChI=1S/C14H14ClN7O/c1-21(2)14-19-11(18-13(16)20-14)6-22-7-17-10-4-3-8(15)5-9(10)12(22)23/h3-5,7H,6H2,1-2H3,(H2,16,18,19,20)
InChIKeyCNGIUSHASMEOOR-UHFFFAOYSA-N
XLogP0.93
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one with MolForge

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Related Compounds

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one
CID 46484186
3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one
CID 38963152
3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 8005584
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577851
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-chloroquinazolin-4-one
CID 8005582
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
CID 38873237

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one (CID 30834389) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one is CN(C)c1nc(N)nc(Cn2cnc3ccc(Cl)cc3c2=O)n1.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one?
The InChIKey is CNGIUSHASMEOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7O/c1-21(2)14-19-11(18-13(16)20-14)6-22-7-17-10-4-3-8(15)5-9(10)12(22)23/h3-5,7H,6H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one has a molecular weight of 331.77 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one is sourced from PubChem (CID 30834389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).