2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C11H15N7O — CID 106424603

IUPAC2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccno2)nc(N2CCCC2)n1
InChIInChI=1S/C11H15N7O/c12-9-15-10(13-7-8-3-4-14-19-8)17-11(16-9)18-5-1-2-6-18/h3-4H,1-2,5-7H2,(H3,12,13,15,16,17)
InChIKeyDKZVZECDMOOHQS-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.65
Rot. Bonds4

About 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106424603) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID106424603
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccno2)nc(N2CCCC2)n1
InChIInChI=1S/C11H15N7O/c12-9-15-10(13-7-8-3-4-14-19-8)17-11(16-9)18-5-1-2-6-18/h3-4H,1-2,5-7H2,(H3,12,13,15,16,17)
InChIKeyDKZVZECDMOOHQS-UHFFFAOYSA-N
XLogP0.65
TPSA105.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106424786
6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106424499
2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834981
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106411701
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
6-piperidin-1-yl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828963
6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772845
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
2-N-[(2-methylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80814477

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 106424603) is 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2ccno2)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DKZVZECDMOOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-9-15-10(13-7-8-3-4-14-19-8)17-11(16-9)18-5-1-2-6-18/h3-4H,1-2,5-7H2,(H3,12,13,15,16,17).
What are the key properties of 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106424603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).