(4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C19H17N5O2 — CID 135911114

IUPAC(4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)OCC([C@@H]1N=C(N)Nc3nc4ccccc4n31)=C2
InChIInChI=1S/C19H17N5O2/c1-25-13-7-6-11-8-12(10-26-16(11)9-13)17-22-18(20)23-19-21-14-4-2-3-5-15(14)24(17)19/h2-9,17H,10H2,1H3,(H3,20,21,22,23)/t17-/m1/s1
InChIKeyPJNGRJOZLNKVED-QGZVFWFLSA-N
MW347.38 g/mol
LogP2.76
Rot. Bonds2

About (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

(4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 135911114) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name(4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID135911114
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCOc1ccc2c(c1)OCC([C@@H]1N=C(N)Nc3nc4ccccc4n31)=C2
InChIInChI=1S/C19H17N5O2/c1-25-13-7-6-11-8-12(10-26-16(11)9-13)17-22-18(20)23-19-21-14-4-2-3-5-15(14)24(17)19/h2-9,17H,10H2,1H3,(H3,20,21,22,23)/t17-/m1/s1
InChIKeyPJNGRJOZLNKVED-QGZVFWFLSA-N
XLogP2.76
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136752412
(4S)-4-(6-chloro-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135881884
4-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3865888
(4S)-4-(5-methoxy-1-methylindol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135831057
4-(7-methoxy-1,3-benzodioxol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135680693
4-(2-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3270126
(4R)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136674369
4-naphthalen-2-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135843390
5-(2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-2-methoxyphenol
CID 135645514
2-(2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-4-ethoxyphenol
CID 135799493
4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 5019552
(4R)-4-(4-propoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136911305

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 135911114) is (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is COc1ccc2c(c1)OCC([C@@H]1N=C(N)Nc3nc4ccccc4n31)=C2.
What is the InChIKey of (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is PJNGRJOZLNKVED-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-25-13-7-6-11-8-12(10-26-16(11)9-13)17-22-18(20)23-19-21-14-4-2-3-5-15(14)24(17)19/h2-9,17H,10H2,1H3,(H3,20,21,22,23)/t17-/m1/s1.
What are the key properties of (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
(4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 347.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 135911114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).