4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C16H22N4O — CID 112908202

IUPAC4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C16H22N4O/c1-4-5-10-17-15-11-12(2)18-16(20-15)19-13-8-6-7-9-14(13)21-3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyZRNBERMUWUCCKO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.75
Rot. Bonds7

About 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112908202) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112908202
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C16H22N4O/c1-4-5-10-17-15-11-12(2)18-16(20-15)19-13-8-6-7-9-14(13)21-3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyZRNBERMUWUCCKO-UHFFFAOYSA-N
XLogP3.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908185
2-N-(2-methoxy-5-methylphenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924364
2-N-butyl-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908400
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-[4-(diethylamino)phenyl]-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930510
2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912513
2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930478
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918738
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112908202) is 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is CCCCNc1cc(C)nc(Nc2ccccc2OC)n1.
What is the InChIKey of 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZRNBERMUWUCCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-5-10-17-15-11-12(2)18-16(20-15)19-13-8-6-7-9-14(13)21-3/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).