4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine

C12H18ClN3O3 — CID 151701701

IUPAC4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine
SMILESCc1nc(Cl)c(N)c(OCCOC2CCCCO2)n1
InChIInChI=1S/C12H18ClN3O3/c1-8-15-11(13)10(14)12(16-8)19-7-6-18-9-4-2-3-5-17-9/h9H,2-7,14H2,1H3
InChIKeyRESSGIMILLVTMS-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.94
Rot. Bonds5

About 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine

4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine (PubChem CID 151701701) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine
PubChem CID151701701
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine
SMILESCc1nc(Cl)c(N)c(OCCOC2CCCCO2)n1
InChIInChI=1S/C12H18ClN3O3/c1-8-15-11(13)10(14)12(16-8)19-7-6-18-9-4-2-3-5-17-9/h9H,2-7,14H2,1H3
InChIKeyRESSGIMILLVTMS-UHFFFAOYSA-N
XLogP1.94
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine?
The IUPAC name of 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine (CID 151701701) is 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine?
The canonical SMILES for 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine is Cc1nc(Cl)c(N)c(OCCOC2CCCCO2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine?
The InChIKey is RESSGIMILLVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-8-15-11(13)10(14)12(16-8)19-7-6-18-9-4-2-3-5-17-9/h9H,2-7,14H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine?
4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine has a molecular weight of 287.75 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine is sourced from PubChem (CID 151701701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).