[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol

C11H16FN3O2 — CID 122562011

IUPAC[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2ncc(F)cn2)CCOCC1
InChIInChI=1S/C11H16FN3O2/c12-9-5-13-10(14-6-9)15-7-11(8-16)1-3-17-4-2-11/h5-6,16H,1-4,7-8H2,(H,13,14,15)
InChIKeyDFEDQJUQXDWHFW-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.82
Rot. Bonds4

About [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol

[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol (PubChem CID 122562011) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
PubChem CID122562011
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2ncc(F)cn2)CCOCC1
InChIInChI=1S/C11H16FN3O2/c12-9-5-13-10(14-6-9)15-7-11(8-16)1-3-17-4-2-11/h5-6,16H,1-4,7-8H2,(H,13,14,15)
InChIKeyDFEDQJUQXDWHFW-UHFFFAOYSA-N
XLogP0.82
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-5-fluoropyrimidin-2-amine
CID 103826198
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-fluoropyrimidin-2-amine
CID 104606755
[4-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]oxan-4-yl]methanol
CID 86781248
[4-[(5-fluoro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106299751
[1-[(5-fluoropyrimidin-2-yl)amino]cyclopentyl]methanol
CID 115750249
5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 104606423
2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol
CID 71983698
5-fluoro-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 115750262
5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 104952726
2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605853
[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
CID 122560367
5-fluoro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-2-amine
CID 126990894

Frequently Asked Questions

What is the IUPAC name of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol (CID 122562011) is [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol is OCC1(CNc2ncc(F)cn2)CCOCC1.
What is the InChIKey of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
The InChIKey is DFEDQJUQXDWHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c12-9-5-13-10(14-6-9)15-7-11(8-16)1-3-17-4-2-11/h5-6,16H,1-4,7-8H2,(H,13,14,15).
What are the key properties of [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol?
[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol has a molecular weight of 241.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-fluoropyrimidin-2-yl)amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 122562011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).