2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide

C18H23BrN4O2 — CID 54852183

IUPAC2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2cc(Br)ccc2OCC(C)C)c1C(=O)N(C)C
InChIInChI=1S/C18H23BrN4O2/c1-10(2)9-25-14-7-6-12(19)8-13(14)16-15(17(24)23(4)5)11(3)21-18(20)22-16/h6-8,10H,9H2,1-5H3,(H2,20,21,22)
InChIKeyPHXOWXLXSRGODR-UHFFFAOYSA-N
MW407.31 g/mol
LogP3.53
Rot. Bonds5

About 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide

2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide (PubChem CID 54852183) has the molecular formula C18H23BrN4O2 and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
PubChem CID54852183
Molecular FormulaC18H23BrN4O2
Molecular Weight407.31 g/mol
Exact Mass406.10
IUPAC Name2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2cc(Br)ccc2OCC(C)C)c1C(=O)N(C)C
InChIInChI=1S/C18H23BrN4O2/c1-10(2)9-25-14-7-6-12(19)8-13(14)16-15(17(24)23(4)5)11(3)21-18(20)22-16/h6-8,10H,9H2,1-5H3,(H2,20,21,22)
InChIKeyPHXOWXLXSRGODR-UHFFFAOYSA-N
XLogP3.53
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850453
2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853690
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397375
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850454
2-amino-4-(2-bromophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852429
ethyl 5-[5-bromo-2-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400360
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide (CID 54852183) is 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide is Cc1nc(N)nc(-c2cc(Br)ccc2OCC(C)C)c1C(=O)N(C)C.
What is the InChIKey of 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is PHXOWXLXSRGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O2/c1-10(2)9-25-14-7-6-12(19)8-13(14)16-15(17(24)23(4)5)11(3)21-18(20)22-16/h6-8,10H,9H2,1-5H3,(H2,20,21,22).
What are the key properties of 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 407.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54852183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).