5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine

C15H20N4O — CID 21315392

IUPAC5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine
SMILESCCOC(CC)Nc1cnc(-c2ccccc2)nc1N
InChIInChI=1S/C15H20N4O/c1-3-13(20-4-2)18-12-10-17-15(19-14(12)16)11-8-6-5-7-9-11/h5-10,13,18H,3-4H2,1-2H3,(H2,16,17,19)
InChIKeyRYUVKXXBWRHORS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.91
Rot. Bonds6

About 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine

5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine (PubChem CID 21315392) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine
PubChem CID21315392
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine
SMILESCCOC(CC)Nc1cnc(-c2ccccc2)nc1N
InChIInChI=1S/C15H20N4O/c1-3-13(20-4-2)18-12-10-17-15(19-14(12)16)11-8-6-5-7-9-11/h5-10,13,18H,3-4H2,1-2H3,(H2,16,17,19)
InChIKeyRYUVKXXBWRHORS-UHFFFAOYSA-N
XLogP2.91
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine?
The IUPAC name of 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine (CID 21315392) is 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine is CCOC(CC)Nc1cnc(-c2ccccc2)nc1N.
What is the InChIKey of 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine?
The InChIKey is RYUVKXXBWRHORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13(20-4-2)18-12-10-17-15(19-14(12)16)11-8-6-5-7-9-11/h5-10,13,18H,3-4H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine?
5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethoxypropyl)-2-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 21315392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).