5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine

C15H20N4O3 — CID 14999859

IUPAC5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCCOc1ccc(Cc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C15H20N4O3/c1-20-5-6-22-12-4-3-10(8-13(12)21-2)7-11-9-18-15(17)19-14(11)16/h3-4,8-9H,5-7H2,1-2H3,(H4,16,17,18,19)
InChIKeyQZGTXNUNYCKMJC-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.27
Rot. Bonds7

About 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine

5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 14999859) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID14999859
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCCOc1ccc(Cc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C15H20N4O3/c1-20-5-6-22-12-4-3-10(8-13(12)21-2)7-11-9-18-15(17)19-14(11)16/h3-4,8-9H,5-7H2,1-2H3,(H4,16,17,18,19)
InChIKeyQZGTXNUNYCKMJC-UHFFFAOYSA-N
XLogP1.27
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine (CID 14999859) is 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine is COCCOc1ccc(Cc2cnc(N)nc2N)cc1OC.
What is the InChIKey of 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is QZGTXNUNYCKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-20-5-6-22-12-4-3-10(8-13(12)21-2)7-11-9-18-15(17)19-14(11)16/h3-4,8-9H,5-7H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 304.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).