6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine

C12H20ClN3O2 — CID 113400806

IUPAC6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
SMILESCCOCCCNc1cc(Cl)nc(COCC)n1
InChIInChI=1S/C12H20ClN3O2/c1-3-17-7-5-6-14-11-8-10(13)15-12(16-11)9-18-4-2/h8H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyVTENASBHTYZWNW-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.51
Rot. Bonds9

About 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine

6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine (PubChem CID 113400806) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
PubChem CID113400806
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
SMILESCCOCCCNc1cc(Cl)nc(COCC)n1
InChIInChI=1S/C12H20ClN3O2/c1-3-17-7-5-6-14-11-8-10(13)15-12(16-11)9-18-4-2/h8H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyVTENASBHTYZWNW-UHFFFAOYSA-N
XLogP2.51
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine (CID 113400806) is 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine is CCOCCCNc1cc(Cl)nc(COCC)n1.
What is the InChIKey of 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine?
The InChIKey is VTENASBHTYZWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-3-17-7-5-6-14-11-8-10(13)15-12(16-11)9-18-4-2/h8H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine?
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine has a molecular weight of 273.76 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 113400806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).