2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine

C12H18ClN3O2 — CID 102937027

IUPAC2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
SMILESCOc1cc(C)nc(N2CC(C)OC(CCl)C2)n1
InChIInChI=1S/C12H18ClN3O2/c1-8-4-11(17-3)15-12(14-8)16-6-9(2)18-10(5-13)7-16/h4,9-10H,5-7H2,1-3H3
InChIKeyVNBDPCIXCKBCLL-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.63
Rot. Bonds3

About 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine

2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine (PubChem CID 102937027) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
PubChem CID102937027
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
SMILESCOc1cc(C)nc(N2CC(C)OC(CCl)C2)n1
InChIInChI=1S/C12H18ClN3O2/c1-8-4-11(17-3)15-12(14-8)16-6-9(2)18-10(5-13)7-16/h4,9-10H,5-7H2,1-3H3
InChIKeyVNBDPCIXCKBCLL-UHFFFAOYSA-N
XLogP1.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
CID 114276586
4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 104976163
4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
CID 102937046
2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
CID 102937094
2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273516
2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
CID 102937003
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 95969720
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine
CID 112635781
2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 102937075
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
2-[(4-methoxy-6-methylpyrimidin-2-yl)oxymethyl]-6-methylmorpholine
CID 102634862

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine (CID 102937027) is 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine is COc1cc(C)nc(N2CC(C)OC(CCl)C2)n1.
What is the InChIKey of 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine?
The InChIKey is VNBDPCIXCKBCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8-4-11(17-3)15-12(14-8)16-6-9(2)18-10(5-13)7-16/h4,9-10H,5-7H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine?
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine has a molecular weight of 271.75 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine is sourced from PubChem (CID 102937027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).