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

C9H14N4O2 — CID 106674543

IUPAC1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCNc1nccc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C9H14N4O2/c1-10-9-11-3-2-8(12-9)13-4-6(14)7(15)5-13/h2-3,6-7,14-15H,4-5H2,1H3,(H,10,11,12)
InChIKeyLAXYVZBAFPRGCV-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.94
Rot. Bonds2

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

1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674543) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674543
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCNc1nccc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C9H14N4O2/c1-10-9-11-3-2-8(12-9)13-4-6(14)7(15)5-13/h2-3,6-7,14-15H,4-5H2,1H3,(H,10,11,12)
InChIKeyLAXYVZBAFPRGCV-UHFFFAOYSA-N
XLogP-0.94
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846082
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674481
1-[6-(methylamino)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106674459
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103542149
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 44548366
[5-methyl-4-[2-(methylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81218201

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674543) is 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is CNc1nccc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is LAXYVZBAFPRGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-10-9-11-3-2-8(12-9)13-4-6(14)7(15)5-13/h2-3,6-7,14-15H,4-5H2,1H3,(H,10,11,12).
What are the key properties of 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 210.24 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).