4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine

C14H16ClN3O — CID 13193135

IUPAC4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine
SMILESCCOCCc1c(Cl)nc(N)nc1-c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-2-19-9-8-11-12(10-6-4-3-5-7-10)17-14(16)18-13(11)15/h3-7H,2,8-9H2,1H3,(H2,16,17,18)
InChIKeyLFGNMJSUWYTYMS-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.96
Rot. Bonds5

About 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine

4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine (PubChem CID 13193135) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine
PubChem CID13193135
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine
SMILESCCOCCc1c(Cl)nc(N)nc1-c1ccccc1
InChIInChI=1S/C14H16ClN3O/c1-2-19-9-8-11-12(10-6-4-3-5-7-10)17-14(16)18-13(11)15/h3-7H,2,8-9H2,1H3,(H2,16,17,18)
InChIKeyLFGNMJSUWYTYMS-UHFFFAOYSA-N
XLogP2.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
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 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine (CID 13193135) is 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine is CCOCCc1c(Cl)nc(N)nc1-c1ccccc1.
What is the InChIKey of 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine?
The InChIKey is LFGNMJSUWYTYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-19-9-8-11-12(10-6-4-3-5-7-10)17-14(16)18-13(11)15/h3-7H,2,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine?
4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine has a molecular weight of 277.75 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 13193135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).