4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine

C15H20N4O2 — CID 70856461

IUPAC4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1Oc1ccccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-4-9-17-14-13(10-18-15(16)19-14)21-12-8-6-5-7-11(12)20-2/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyYWFCBTNPIPSAMC-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.07
Rot. Bonds7

About 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine

4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine (PubChem CID 70856461) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
PubChem CID70856461
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1Oc1ccccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-4-9-17-14-13(10-18-15(16)19-14)21-12-8-6-5-7-11(12)20-2/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyYWFCBTNPIPSAMC-UHFFFAOYSA-N
XLogP3.07
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine (CID 70856461) is 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1Oc1ccccc1OC.
What is the InChIKey of 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine?
The InChIKey is YWFCBTNPIPSAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-4-9-17-14-13(10-18-15(16)19-14)21-12-8-6-5-7-11(12)20-2/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine?
4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-(2-methoxyphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 70856461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).