4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine

C19H19BrN4O — CID 112935080

IUPAC4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(Nc2ccc(Br)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H19BrN4O/c1-25-12-11-21-19-23-17(14-5-3-2-4-6-14)13-18(24-19)22-16-9-7-15(20)8-10-16/h2-10,13H,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyQNPCWOCDJGWNNY-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.71
Rot. Bonds7

About 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine

4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935080) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935080
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(Nc2ccc(Br)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H19BrN4O/c1-25-12-11-21-19-23-17(14-5-3-2-4-6-14)13-18(24-19)22-16-9-7-15(20)8-10-16/h2-10,13H,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyQNPCWOCDJGWNNY-UHFFFAOYSA-N
XLogP4.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.71
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

2-N-(4-bromophenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934933
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869563
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932787
4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935316
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
4-[[6-phenyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112932629

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine (CID 112935080) is 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine is COCCNc1nc(Nc2ccc(Br)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is QNPCWOCDJGWNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-25-12-11-21-19-23-17(14-5-3-2-4-6-14)13-18(24-19)22-16-9-7-15(20)8-10-16/h2-10,13H,11-12H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine?
4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 399.29 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).