2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

C17H21BrN4O2 — CID 54851170

IUPAC2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(COc2ccc(C(C)(C)C)cc2Br)c1C(N)=O
InChIInChI=1S/C17H21BrN4O2/c1-9-14(15(19)23)12(22-16(20)21-9)8-24-13-6-5-10(7-11(13)18)17(2,3)4/h5-7H,8H2,1-4H3,(H2,19,23)(H2,20,21,22)
InChIKeyLHYOTRZWAAIMIA-UHFFFAOYSA-N
MW393.29 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54851170) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54851170
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(COc2ccc(C(C)(C)C)cc2Br)c1C(N)=O
InChIInChI=1S/C17H21BrN4O2/c1-9-14(15(19)23)12(22-16(20)21-9)8-24-13-6-5-10(7-11(13)18)17(2,3)4/h5-7H,8H2,1-4H3,(H2,19,23)(H2,20,21,22)
InChIKeyLHYOTRZWAAIMIA-UHFFFAOYSA-N
XLogP3.11
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-[(2,4-ditert-butylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850590
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622
2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850545
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851529
2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850454
2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide
CID 54850496
ethyl 2-amino-4-[(2,4-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851778
ethyl 2-amino-4-[(1-bromonaphthalen-2-yl)oxymethyl]-6-methylpyrimidine-5-carboxylate
CID 54851574
2-[(2-bromo-4-tert-butylphenoxy)methyl]benzoic acid
CID 22680482

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (CID 54851170) is 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is Cc1nc(N)nc(COc2ccc(C(C)(C)C)cc2Br)c1C(N)=O.
What is the InChIKey of 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is LHYOTRZWAAIMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-9-14(15(19)23)12(22-16(20)21-9)8-24-13-6-5-10(7-11(13)18)17(2,3)4/h5-7H,8H2,1-4H3,(H2,19,23)(H2,20,21,22).
What are the key properties of 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54851170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).