(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol

C9H12FIN4O2 — CID 134254858

IUPAC(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol
SMILESOC(NI)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C9H12FIN4O2/c10-6-5-12-7(9(16)14-11)13-8(6)15-1-3-17-4-2-15/h5,9,14,16H,1-4H2
InChIKeyRCWKSIZAQSPTPE-UHFFFAOYSA-N
MW354.12 g/mol
LogP0.38
Rot. Bonds3

About (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol

(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol (PubChem CID 134254858) has the molecular formula C9H12FIN4O2 and a molecular weight of 354.12 g/mol. Its IUPAC name is (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol.

Molecular Properties

Compound Name(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol
PubChem CID134254858
Molecular FormulaC9H12FIN4O2
Molecular Weight354.12 g/mol
Exact Mass354.00
IUPAC Name(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol
SMILESOC(NI)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C9H12FIN4O2/c10-6-5-12-7(9(16)14-11)13-8(6)15-1-3-17-4-2-15/h5,9,14,16H,1-4H2
InChIKeyRCWKSIZAQSPTPE-UHFFFAOYSA-N
XLogP0.38
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
CID 130197461
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
N-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]formamide
CID 143431084
N-butyl-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50950437
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 50962192
2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol
CID 137335375
5-fluoro-4-morpholin-4-yl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 50965748
(1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol
CID 95147671
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 50962093
5-fluoro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 134696082
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol?
The IUPAC name of (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol (CID 134254858) is (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol.
What is the SMILES notation for (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol?
The canonical SMILES for (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol is OC(NI)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol?
The InChIKey is RCWKSIZAQSPTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN4O2/c10-6-5-12-7(9(16)14-11)13-8(6)15-1-3-17-4-2-15/h5,9,14,16H,1-4H2.
What are the key properties of (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol?
(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol has a molecular weight of 354.12 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol is sourced from PubChem (CID 134254858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).