4-[4-(chloromethyl)pyrimidin-2-yl]morpholine

C9H12ClN3O — CID 62747047

IUPAC4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
SMILESClCc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C9H12ClN3O/c10-7-8-1-2-11-9(12-8)13-3-5-14-6-4-13/h1-2H,3-7H2
InChIKeyKSKHPLDDZGEWJX-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.05
Rot. Bonds2

About 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine

4-[4-(chloromethyl)pyrimidin-2-yl]morpholine (PubChem CID 62747047) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
PubChem CID62747047
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
SMILESClCc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C9H12ClN3O/c10-7-8-1-2-11-9(12-8)13-3-5-14-6-4-13/h1-2H,3-7H2
InChIKeyKSKHPLDDZGEWJX-UHFFFAOYSA-N
XLogP1.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]morpholine
CID 110225765
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592
4-[4-[(dimethylsulfamoylamino)methyl]pyrimidin-2-yl]morpholine
CID 122353348
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
CID 170035961
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine (CID 62747047) is 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine is ClCc1ccnc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is KSKHPLDDZGEWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-8-1-2-11-9(12-8)13-3-5-14-6-4-13/h1-2H,3-7H2.
What are the key properties of 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine?
4-[4-(chloromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 213.67 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 62747047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).