3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine

C10H16ClN3O — CID 79076859

IUPAC3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCc1cnc(Cl)nc1OCCCN(C)C
InChIInChI=1S/C10H16ClN3O/c1-8-7-12-10(11)13-9(8)15-6-4-5-14(2)3/h7H,4-6H2,1-3H3
InChIKeyMNERYYITJTWUKV-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.77
Rot. Bonds5

About 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine

3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine (PubChem CID 79076859) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
PubChem CID79076859
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCc1cnc(Cl)nc1OCCCN(C)C
InChIInChI=1S/C10H16ClN3O/c1-8-7-12-10(11)13-9(8)15-6-4-5-14(2)3/h7H,4-6H2,1-3H3
InChIKeyMNERYYITJTWUKV-UHFFFAOYSA-N
XLogP1.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine (CID 79076859) is 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine is Cc1cnc(Cl)nc1OCCCN(C)C.
What is the InChIKey of 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is MNERYYITJTWUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-7-12-10(11)13-9(8)15-6-4-5-14(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine?
3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 229.71 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 79076859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).