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

C16H17ClN6O — CID 56654220

IUPAC6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C16H17ClN6O/c1-10(2)19-16-21-14(17)20-15(22-16)18-9-12-8-13(23-24-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyRXNFIVUBJFRRIT-UHFFFAOYSA-N
MW344.81 g/mol
LogP3.61
Rot. Bonds6

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

6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 56654220) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID56654220
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C16H17ClN6O/c1-10(2)19-16-21-14(17)20-15(22-16)18-9-12-8-13(23-24-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyRXNFIVUBJFRRIT-UHFFFAOYSA-N
XLogP3.61
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 56654220) is 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Cl)nc(NCc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RXNFIVUBJFRRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-10(2)19-16-21-14(17)20-15(22-16)18-9-12-8-13(23-24-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 344.81 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56654220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).