2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide

C16H19BrN4O2 — CID 54850454

IUPAC2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2ccc(OCC(C)C)c(Br)c2)c1C(N)=O
InChIInChI=1S/C16H19BrN4O2/c1-8(2)7-23-12-5-4-10(6-11(12)17)14-13(15(18)22)9(3)20-16(19)21-14/h4-6,8H,7H2,1-3H3,(H2,18,22)(H2,19,20,21)
InChIKeyLBCXGBZDYJDDQG-UHFFFAOYSA-N
MW379.26 g/mol
LogP2.93
Rot. Bonds5

About 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54850454) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54850454
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2ccc(OCC(C)C)c(Br)c2)c1C(N)=O
InChIInChI=1S/C16H19BrN4O2/c1-8(2)7-23-12-5-4-10(6-11(12)17)14-13(15(18)22)9(3)20-16(19)21-14/h4-6,8H,7H2,1-3H3,(H2,18,22)(H2,19,20,21)
InChIKeyLBCXGBZDYJDDQG-UHFFFAOYSA-N
XLogP2.93
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[3-bromo-4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxamide
CID 54850545
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852183
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851374
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-4-(5-bromo-2-propoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850453
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
2-[[3-bromo-4-(2-methylpropoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168931
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
CID 23540974
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide (CID 54850454) is 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide is Cc1nc(N)nc(-c2ccc(OCC(C)C)c(Br)c2)c1C(N)=O.
What is the InChIKey of 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is LBCXGBZDYJDDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-8(2)7-23-12-5-4-10(6-11(12)17)14-13(15(18)22)9(3)20-16(19)21-14/h4-6,8H,7H2,1-3H3,(H2,18,22)(H2,19,20,21).
What are the key properties of 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-bromo-4-(2-methylpropoxy)phenyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).