6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C18H23N7O — CID 17462971

IUPAC6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C18H23N7O/c1-24(2)18-22-15(21-17(19)23-18)11-25-9-7-12(8-10-25)16-20-13-5-3-4-6-14(13)26-16/h3-6,12H,7-11H2,1-2H3,(H2,19,21,22,23)
InChIKeySCBUCOJFHFBMIR-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.04
Rot. Bonds4

About 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17462971) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17462971
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CN2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C18H23N7O/c1-24(2)18-22-15(21-17(19)23-18)11-25-9-7-12(8-10-25)16-20-13-5-3-4-6-14(13)26-16/h3-6,12H,7-11H2,1-2H3,(H2,19,21,22,23)
InChIKeySCBUCOJFHFBMIR-UHFFFAOYSA-N
XLogP2.04
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17462971) is 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CN2CCC(c3nc4ccccc4o3)CC2)n1.
What is the InChIKey of 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SCBUCOJFHFBMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-24(2)18-22-15(21-17(19)23-18)11-25-9-7-12(8-10-25)16-20-13-5-3-4-6-14(13)26-16/h3-6,12H,7-11H2,1-2H3,(H2,19,21,22,23).
What are the key properties of 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 353.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17462971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).