2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C18H21N7O3 — CID 10309428

IUPAC2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O3/c1-19-16-22-17(24-18(23-16)25-5-7-27-8-6-25)21-12-3-4-13(14(9-12)26-2)15-10-20-11-28-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22,23,24)
InChIKeySOMMMZZJMNFTSN-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.16
Rot. Bonds6

About 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 10309428) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID10309428
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O3/c1-19-16-22-17(24-18(23-16)25-5-7-27-8-6-25)21-12-3-4-13(14(9-12)26-2)15-10-20-11-28-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22,23,24)
InChIKeySOMMMZZJMNFTSN-UHFFFAOYSA-N
XLogP2.16
TPSA110.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 10309428) is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SOMMMZZJMNFTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-19-16-22-17(24-18(23-16)25-5-7-27-8-6-25)21-12-3-4-13(14(9-12)26-2)15-10-20-11-28-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22,23,24).
What are the key properties of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 383.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10309428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).