[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol

C9H10Cl2FN3O2 — CID 87758454

IUPAC[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
SMILESOC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN3O2/c10-7-6(12)8(14-9(11)13-7)15-1-2-17-4-5(15)3-16/h5,16H,1-4H2/t5-/m1/s1
InChIKeyCHMIIZVSMCLWEV-RXMQYKEDSA-N
MW282.10 g/mol
LogP1.12
Rot. Bonds2

About [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol

[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol (PubChem CID 87758454) has the molecular formula C9H10Cl2FN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
PubChem CID87758454
Molecular FormulaC9H10Cl2FN3O2
Molecular Weight282.10 g/mol
Exact Mass281.01
IUPAC Name[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
SMILESOC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F
InChIInChI=1S/C9H10Cl2FN3O2/c10-7-6(12)8(14-9(11)13-7)15-1-2-17-4-5(15)3-16/h5,16H,1-4H2/t5-/m1/s1
InChIKeyCHMIIZVSMCLWEV-RXMQYKEDSA-N
XLogP1.12
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
CID 137453994
[4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol
CID 118238355
[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
CID 117009219
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
[4-(4-methoxyphenyl)morpholin-3-yl]methanol
CID 117009227
[4-(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)morpholin-3-yl]methanol
CID 87510030
(4-phenylmorpholin-3-yl)methanol
CID 91802000
3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136739559
[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
CID 114070875
2,3-difluoro-4-[3-(hydroxymethyl)morpholin-4-yl]benzenecarbothioamide
CID 107935290
2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83842677
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
The IUPAC name of [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol (CID 87758454) is [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol.
What is the SMILES notation for [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
The canonical SMILES for [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol is OC[C@@H]1COCCN1c1nc(Cl)nc(Cl)c1F.
What is the InChIKey of [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
The InChIKey is CHMIIZVSMCLWEV-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10Cl2FN3O2/c10-7-6(12)8(14-9(11)13-7)15-1-2-17-4-5(15)3-16/h5,16H,1-4H2/t5-/m1/s1.
What are the key properties of [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol?
[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol has a molecular weight of 282.10 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol is sourced from PubChem (CID 87758454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).