2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine

C17H23N5O — CID 58590416

IUPAC2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1nc(N)nc(N[C@@H]2CCOc3c2ccc(C)c3C)n1
InChIInChI=1S/C17H23N5O/c1-4-5-14-20-16(18)22-17(21-14)19-13-8-9-23-15-11(3)10(2)6-7-12(13)15/h6-7,13H,4-5,8-9H2,1-3H3,(H3,18,19,20,21,22)/t13-/m1/s1
InChIKeyPJAIMWYTWFLUIS-CYBMUJFWSA-N
MW313.41 g/mol
LogP2.96
Rot. Bonds4

About 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine

2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 58590416) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine
PubChem CID58590416
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCc1nc(N)nc(N[C@@H]2CCOc3c2ccc(C)c3C)n1
InChIInChI=1S/C17H23N5O/c1-4-5-14-20-16(18)22-17(21-14)19-13-8-9-23-15-11(3)10(2)6-7-12(13)15/h6-7,13H,4-5,8-9H2,1-3H3,(H3,18,19,20,21,22)/t13-/m1/s1
InChIKeyPJAIMWYTWFLUIS-CYBMUJFWSA-N
XLogP2.96
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine (CID 58590416) is 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine is CCCc1nc(N)nc(N[C@@H]2CCOc3c2ccc(C)c3C)n1.
What is the InChIKey of 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PJAIMWYTWFLUIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-5-14-20-16(18)22-17(21-14)19-13-8-9-23-15-11(3)10(2)6-7-12(13)15/h6-7,13H,4-5,8-9H2,1-3H3,(H3,18,19,20,21,22)/t13-/m1/s1.
What are the key properties of 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine?
2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4R)-7,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-6-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).