2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine

C13H15N5O — CID 58590456

IUPAC2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1ncnc(N)n1)CCO2
InChIInChI=1S/C13H15N5O/c1-8-2-3-11-9(6-8)10(4-5-19-11)17-13-16-7-15-12(14)18-13/h2-3,6-7,10H,4-5H2,1H3,(H3,14,15,16,17,18)/t10-/m1/s1
InChIKeyBKTNAIJYAXLLGB-SNVBAGLBSA-N
MW257.30 g/mol
LogP1.70
Rot. Bonds2

About 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine

2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590456) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58590456
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)[C@H](Nc1ncnc(N)n1)CCO2
InChIInChI=1S/C13H15N5O/c1-8-2-3-11-9(6-8)10(4-5-19-11)17-13-16-7-15-12(14)18-13/h2-3,6-7,10H,4-5H2,1H3,(H3,14,15,16,17,18)/t10-/m1/s1
InChIKeyBKTNAIJYAXLLGB-SNVBAGLBSA-N
XLogP1.70
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine (CID 58590456) is 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is Cc1ccc2c(c1)[C@H](Nc1ncnc(N)n1)CCO2.
What is the InChIKey of 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BKTNAIJYAXLLGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-2-3-11-9(6-8)10(4-5-19-11)17-13-16-7-15-12(14)18-13/h2-3,6-7,10H,4-5H2,1H3,(H3,14,15,16,17,18)/t10-/m1/s1.
What are the key properties of 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine?
2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 257.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).