4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide

C12H16BrN5O — CID 47238234

IUPAC4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C12H16BrN5O/c13-9-7-14-11(15-8-9)17-3-5-18(6-4-17)12(19)16-10-1-2-10/h7-8,10H,1-6H2,(H,16,19)
InChIKeyKJUHYLVUCMAIBH-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.23
Rot. Bonds2

About 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide

4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide (PubChem CID 47238234) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide
PubChem CID47238234
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C12H16BrN5O/c13-9-7-14-11(15-8-9)17-3-5-18(6-4-17)12(19)16-10-1-2-10/h7-8,10H,1-6H2,(H,16,19)
InChIKeyKJUHYLVUCMAIBH-UHFFFAOYSA-N
XLogP1.23
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide (CID 47238234) is 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide is O=C(NC1CC1)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide?
The InChIKey is KJUHYLVUCMAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c13-9-7-14-11(15-8-9)17-3-5-18(6-4-17)12(19)16-10-1-2-10/h7-8,10H,1-6H2,(H,16,19).
What are the key properties of 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide?
4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide has a molecular weight of 326.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 47238234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).