6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine

C22H26N4O2 — CID 112879752

IUPAC6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(OC)cc2OC)nc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O2/c1-4-5-13-23-20-15-21(26-22(25-20)16-9-7-6-8-10-16)24-18-12-11-17(27-2)14-19(18)28-3/h6-12,14-15H,4-5,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyQOQCMKXLKDXSKJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.12
Rot. Bonds9

About 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine

6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879752) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112879752
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(OC)cc2OC)nc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O2/c1-4-5-13-23-20-15-21(26-22(25-20)16-9-7-6-8-10-16)24-18-12-11-17(27-2)14-19(18)28-3/h6-12,14-15H,4-5,13H2,1-3H3,(H2,23,24,25,26)
InChIKeyQOQCMKXLKDXSKJ-UHFFFAOYSA-N
XLogP5.12
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.12
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

6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
4-N-(2,4-dimethoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879673
6-N-butyl-4-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112879734
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880900
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580
6-N-butyl-2-methyl-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112868003
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879241
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine (CID 112879752) is 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccc(OC)cc2OC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is QOQCMKXLKDXSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-5-13-23-20-15-21(26-22(25-20)16-9-7-6-8-10-16)24-18-12-11-17(27-2)14-19(18)28-3/h6-12,14-15H,4-5,13H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 378.48 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).