(3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine

C10H13ClIN3O — CID 71584551

IUPAC(3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(CI)nc(Cl)n1
InChIInChI=1S/C10H13ClIN3O/c1-7-6-16-3-2-15(7)9-4-8(5-12)13-10(11)14-9/h4,7H,2-3,5-6H2,1H3/t7-/m1/s1
InChIKeyXCOOZBOFPOZBFU-SSDOTTSWSA-N
MW353.59 g/mol
LogP2.29
Rot. Bonds2

About (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 71584551) has the molecular formula C10H13ClIN3O and a molecular weight of 353.59 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID71584551
Molecular FormulaC10H13ClIN3O
Molecular Weight353.59 g/mol
Exact Mass352.98
IUPAC Name(3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(CI)nc(Cl)n1
InChIInChI=1S/C10H13ClIN3O/c1-7-6-16-3-2-15(7)9-4-8(5-12)13-10(11)14-9/h4,7H,2-3,5-6H2,1H3/t7-/m1/s1
InChIKeyXCOOZBOFPOZBFU-SSDOTTSWSA-N
XLogP2.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(2-Isopropyl-6-methyl-4-pyrimidinyl)morpholine
CID 3306908
4,4'-(6-Methylpyrimidine-2,4-diyl)dimorpholine
CID 239982
4-(4,6-Dimethylpyrimidin-2-yl)morpholine
CID 676802
4-(4-Methyl-6-piperidin-1-ylpyrimidin-2-yl)morpholine
CID 697254
N,6-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 697248
4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-2,6-dimethylmorpholine
CID 4317583
4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
CID 647957
N-butyl-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 1880359
2-Amino-4-morpholino-6-methylpyrimidine
CID 3642905
[4-Methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
CID 121561616
2-(6-Methyl-2-morpholin-4-yl-pyrimidin-4-ylamino)-ethanol
CID 1918227
2-Chloro-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 57840126

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine (CID 71584551) is (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(CI)nc(Cl)n1.
What is the InChIKey of (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is XCOOZBOFPOZBFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClIN3O/c1-7-6-16-3-2-15(7)9-4-8(5-12)13-10(11)14-9/h4,7H,2-3,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 353.59 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-chloro-6-(iodomethyl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 71584551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).