4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid

C14H19BrN4O3 — CID 134262903

IUPAC4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)c2ncc(Br)cn2)CCN1C(=O)O
InChIInChI=1S/C14H19BrN4O3/c1-14(2,3)10-8-18(4-5-19(10)13(21)22)12(20)11-16-6-9(15)7-17-11/h6-7,10H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyGGHBJWXJZOGEJJ-UHFFFAOYSA-N
MW371.24 g/mol
LogP2.09
Rot. Bonds1

About 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid

4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid (PubChem CID 134262903) has the molecular formula C14H19BrN4O3 and a molecular weight of 371.24 g/mol. Its IUPAC name is 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid
PubChem CID134262903
Molecular FormulaC14H19BrN4O3
Molecular Weight371.24 g/mol
Exact Mass370.06
IUPAC Name4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)c2ncc(Br)cn2)CCN1C(=O)O
InChIInChI=1S/C14H19BrN4O3/c1-14(2,3)10-8-18(4-5-19(10)13(21)22)12(20)11-16-6-9(15)7-17-11/h6-7,10H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyGGHBJWXJZOGEJJ-UHFFFAOYSA-N
XLogP2.09
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid (CID 134262903) is 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid is CC(C)(C)C1CN(C(=O)c2ncc(Br)cn2)CCN1C(=O)O.
What is the InChIKey of 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid?
The InChIKey is GGHBJWXJZOGEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O3/c1-14(2,3)10-8-18(4-5-19(10)13(21)22)12(20)11-16-6-9(15)7-17-11/h6-7,10H,4-5,8H2,1-3H3,(H,21,22).
What are the key properties of 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid?
4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid has a molecular weight of 371.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidine-2-carbonyl)-2-tert-butylpiperazine-1-carboxylic acid is sourced from PubChem (CID 134262903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).