4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine

C16H20Cl2N4 — CID 112925569

IUPAC4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1nc(C)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H20Cl2N4/c1-3-4-5-9-19-16-20-11(2)10-14(22-16)21-15-12(17)7-6-8-13(15)18/h6-8,10H,3-5,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyDWMQWQGCYMKERS-UHFFFAOYSA-N
MW339.27 g/mol
LogP5.44
Rot. Bonds7

About 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine

4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine (PubChem CID 112925569) has the molecular formula C16H20Cl2N4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
PubChem CID112925569
Molecular FormulaC16H20Cl2N4
Molecular Weight339.27 g/mol
Exact Mass338.11
IUPAC Name4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1nc(C)cc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H20Cl2N4/c1-3-4-5-9-19-16-20-11(2)10-14(22-16)21-15-12(17)7-6-8-13(15)18/h6-8,10H,3-5,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyDWMQWQGCYMKERS-UHFFFAOYSA-N
XLogP5.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.27
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-4-N-(2,6-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908448
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
4-N-(2,5-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925567
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386
6-methyl-2-N-pentyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112925545
2-[[6-methyl-2-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112925575
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine (CID 112925569) is 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine is CCCCCNc1nc(C)cc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
The InChIKey is DWMQWQGCYMKERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4/c1-3-4-5-9-19-16-20-11(2)10-14(22-16)21-15-12(17)7-6-8-13(15)18/h6-8,10H,3-5,9H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine?
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine has a molecular weight of 339.27 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).