2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide

C13H15BrN6O — CID 11523166

IUPAC2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide
SMILESNCCNc1ncc(C(N)=O)c(Nc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN6O/c14-8-2-1-3-9(6-8)19-12-10(11(16)21)7-18-13(20-12)17-5-4-15/h1-3,6-7H,4-5,15H2,(H2,16,21)(H2,17,18,19,20)
InChIKeyLCHFUEDOARMXDD-UHFFFAOYSA-N
MW351.21 g/mol
LogP1.45
Rot. Bonds6

About 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide

2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide (PubChem CID 11523166) has the molecular formula C13H15BrN6O and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide
PubChem CID11523166
Molecular FormulaC13H15BrN6O
Molecular Weight351.21 g/mol
Exact Mass350.05
IUPAC Name2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide
SMILESNCCNc1ncc(C(N)=O)c(Nc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN6O/c14-8-2-1-3-9(6-8)19-12-10(11(16)21)7-18-13(20-12)17-5-4-15/h1-3,6-7H,4-5,15H2,(H2,16,21)(H2,17,18,19,20)
InChIKeyLCHFUEDOARMXDD-UHFFFAOYSA-N
XLogP1.45
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide (CID 11523166) is 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide is NCCNc1ncc(C(N)=O)c(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide?
The InChIKey is LCHFUEDOARMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN6O/c14-8-2-1-3-9(6-8)19-12-10(11(16)21)7-18-13(20-12)17-5-4-15/h1-3,6-7H,4-5,15H2,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide?
2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 1.45, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-(3-bromoanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 11523166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).