2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide

C8H14N6O3 — CID 114154537

IUPAC2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNc1nc(NCC(O)C(N)=O)nc(OC)n1
InChIInChI=1S/C8H14N6O3/c1-10-6-12-7(14-8(13-6)17-2)11-3-4(15)5(9)16/h4,15H,3H2,1-2H3,(H2,9,16)(H2,10,11,12,13,14)
InChIKeyOKCBROPISPBKER-UHFFFAOYSA-N
MW242.24 g/mol
LogP-1.82
Rot. Bonds6

About 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide

2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 114154537) has the molecular formula C8H14N6O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID114154537
Molecular FormulaC8H14N6O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNc1nc(NCC(O)C(N)=O)nc(OC)n1
InChIInChI=1S/C8H14N6O3/c1-10-6-12-7(14-8(13-6)17-2)11-3-4(15)5(9)16/h4,15H,3H2,1-2H3,(H2,9,16)(H2,10,11,12,13,14)
InChIKeyOKCBROPISPBKER-UHFFFAOYSA-N
XLogP-1.82
TPSA135.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159577
2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 115409503
2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 106178974
methyl 2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 114284118
ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 80843895
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850764
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178882
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide (CID 114154537) is 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide is CNc1nc(NCC(O)C(N)=O)nc(OC)n1.
What is the InChIKey of 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is OKCBROPISPBKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3/c1-10-6-12-7(14-8(13-6)17-2)11-3-4(15)5(9)16/h4,15H,3H2,1-2H3,(H2,9,16)(H2,10,11,12,13,14).
What are the key properties of 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide?
2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 242.24 g/mol, XLogP of -1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 114154537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).