4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine

C15H20N4O2 — CID 19134955

IUPAC4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
SMILESCCCCNc1ncnc(Oc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-4-9-17-14-13(16)15(19-10-18-14)21-12-7-5-11(20-2)6-8-12/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18,19)
InChIKeyIVJRHNAKRSXXTB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.07
Rot. Bonds7

About 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine

4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine (PubChem CID 19134955) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
PubChem CID19134955
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
SMILESCCCCNc1ncnc(Oc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-4-9-17-14-13(16)15(19-10-18-14)21-12-7-5-11(20-2)6-8-12/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18,19)
InChIKeyIVJRHNAKRSXXTB-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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Related Compounds

4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641
4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
CID 19142606
6-(4-bromophenoxy)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142658
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
4-N-hexadecyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19142465
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19144247
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine (CID 19134955) is 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine is CCCCNc1ncnc(Oc2ccc(OC)cc2)c1N.
What is the InChIKey of 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
The InChIKey is IVJRHNAKRSXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-4-9-17-14-13(16)15(19-10-18-14)21-12-7-5-11(20-2)6-8-12/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine?
4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-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-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 19134955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).