(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol

C9H14N4O3 — CID 103696650

IUPAC(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
SMILESCOc1nc(OC)nc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C9H14N4O3/c1-15-8-10-7(11-9(12-8)16-2)13-4-3-6(14)5-13/h6,14H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyYDKUTWPVDAEYIY-ZCFIWIBFSA-N
MW226.24 g/mol
LogP-0.54
Rot. Bonds3

About (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol

(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol (PubChem CID 103696650) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
PubChem CID103696650
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
SMILESCOc1nc(OC)nc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C9H14N4O3/c1-15-8-10-7(11-9(12-8)16-2)13-4-3-6(14)5-13/h6,14H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyYDKUTWPVDAEYIY-ZCFIWIBFSA-N
XLogP-0.54
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
CID 63844978
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
CID 103703058
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63392500
2-[4-(1-chloroethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 106838427
(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029
N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62860368
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpiperidin-4-amine
CID 62861936
2,4-dimethoxy-6-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,3,5-triazine
CID 110091067
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol (CID 103696650) is (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol is COc1nc(OC)nc(N2CC[C@@H](O)C2)n1.
What is the InChIKey of (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol?
The InChIKey is YDKUTWPVDAEYIY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-15-8-10-7(11-9(12-8)16-2)13-4-3-6(14)5-13/h6,14H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol?
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol has a molecular weight of 226.24 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103696650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).