1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol

C10H16N4O2 — CID 106674481

IUPAC1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCNc1nc(C)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C10H16N4O2/c1-6-3-9(13-10(11-2)12-6)14-4-7(15)8(16)5-14/h3,7-8,15-16H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyWRWFYUVADHXCHR-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.63
Rot. Bonds2

About 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol

1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674481) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674481
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCNc1nc(C)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C10H16N4O2/c1-6-3-9(13-10(11-2)12-6)14-4-7(15)8(16)5-14/h3,7-8,15-16H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyWRWFYUVADHXCHR-UHFFFAOYSA-N
XLogP-0.63
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80835991
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80822586
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
N,4-dimethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80822558
4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80838759
N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80808792
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80767534
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 80911673
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]pyrrolidine-3,4-diol
CID 106667672
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825182

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674481) is 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is CNc1nc(C)cc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is WRWFYUVADHXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-3-9(13-10(11-2)12-6)14-4-7(15)8(16)5-14/h3,7-8,15-16H,4-5H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 224.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).