3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol

C9H12ClN3O2 — CID 102975946

IUPAC3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2ncncc2Cl)CCOC1
InChIInChI=1S/C9H12ClN3O2/c10-7-3-11-6-13-8(7)12-4-9(14)1-2-15-5-9/h3,6,14H,1-2,4-5H2,(H,11,12,13)
InChIKeyJQXQWMVYDLDPLH-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.69
Rot. Bonds3

About 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 102975946) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID102975946
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2ncncc2Cl)CCOC1
InChIInChI=1S/C9H12ClN3O2/c10-7-3-11-6-13-8(7)12-4-9(14)1-2-15-5-9/h3,6,14H,1-2,4-5H2,(H,11,12,13)
InChIKeyJQXQWMVYDLDPLH-UHFFFAOYSA-N
XLogP0.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099483
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
2-[1-[[(5-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 105369731
methyl 4-[(4-hydroxyoxan-4-yl)methylamino]pyrimidine-5-carboxylate
CID 114214786
3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103334
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099466
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143806

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 102975946) is 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol is OC1(CNc2ncncc2Cl)CCOC1.
What is the InChIKey of 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is JQXQWMVYDLDPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-7-3-11-6-13-8(7)12-4-9(14)1-2-15-5-9/h3,6,14H,1-2,4-5H2,(H,11,12,13).
What are the key properties of 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 229.67 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 102975946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).