3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol

C9H11Cl2N3O2 — CID 106102670

IUPAC3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2nc(Cl)ncc2Cl)CCOC1
InChIInChI=1S/C9H11Cl2N3O2/c10-6-3-12-8(11)14-7(6)13-4-9(15)1-2-16-5-9/h3,15H,1-2,4-5H2,(H,12,13,14)
InChIKeyRQCQQZYDDSOQNB-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.35
Rot. Bonds3

About 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 106102670) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID106102670
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESOC1(CNc2nc(Cl)ncc2Cl)CCOC1
InChIInChI=1S/C9H11Cl2N3O2/c10-6-3-12-8(11)14-7(6)13-4-9(15)1-2-16-5-9/h3,15H,1-2,4-5H2,(H,12,13,14)
InChIKeyRQCQQZYDDSOQNB-UHFFFAOYSA-N
XLogP1.35
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099483
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
3-[[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143702
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099466
1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 79073024
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102696
3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 106102670) is 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol is OC1(CNc2nc(Cl)ncc2Cl)CCOC1.
What is the InChIKey of 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is RQCQQZYDDSOQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c10-6-3-12-8(11)14-7(6)13-4-9(15)1-2-16-5-9/h3,15H,1-2,4-5H2,(H,12,13,14).
What are the key properties of 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 264.11 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).