2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

C15H19BrN4O — CID 112911473

IUPAC2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1cc(C)nc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C15H19BrN4O/c1-10-8-12(16)4-5-13(10)19-15-18-11(2)9-14(20-15)17-6-7-21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyRCDMIRPRTQNHRW-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.66
Rot. Bonds6

About 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112911473) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112911473
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1cc(C)nc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C15H19BrN4O/c1-10-8-12(16)4-5-13(10)19-15-18-11(2)9-14(20-15)17-6-7-21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyRCDMIRPRTQNHRW-UHFFFAOYSA-N
XLogP3.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.66
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-(2,4-dichlorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911488
2-N-(2,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911480
4-N-(2-methoxyethyl)-6-methyl-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112911416
2-[[4-(2-methoxyethylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112911497
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911841
2-N-(4-bromo-2-methylphenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919532
2-N-(3-bromo-4-methylphenyl)-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911805
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911493
2-N-(3,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911503
4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112911418
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (CID 112911473) is 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is COCCNc1cc(C)nc(Nc2ccc(Br)cc2C)n1.
What is the InChIKey of 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RCDMIRPRTQNHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-10-8-12(16)4-5-13(10)19-15-18-11(2)9-14(20-15)17-6-7-21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 351.25 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112911473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).