4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol

C10H14FN3O2 — CID 172899263

IUPAC4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncncc2F)CCOCC1
InChIInChI=1S/C10H14FN3O2/c11-8-5-12-7-14-9(8)13-6-10(15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H,12,13,14)
InChIKeySXBUMVPDIXPJFA-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.57
Rot. Bonds3

About 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol

4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 172899263) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
PubChem CID172899263
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncncc2F)CCOCC1
InChIInChI=1S/C10H14FN3O2/c11-8-5-12-7-14-9(8)13-6-10(15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H,12,13,14)
InChIKeySXBUMVPDIXPJFA-UHFFFAOYSA-N
XLogP0.57
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
methyl 4-[(4-hydroxyoxan-4-yl)methylamino]pyrimidine-5-carboxylate
CID 114214786
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132173
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772
1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79916056
4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
CID 86946176
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol (CID 172899263) is 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol is OC1(CNc2ncncc2F)CCOCC1.
What is the InChIKey of 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is SXBUMVPDIXPJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-8-5-12-7-14-9(8)13-6-10(15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H,12,13,14).
What are the key properties of 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol?
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 227.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 172899263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).