1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one

C11H17N5O — CID 82510577

IUPAC1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one
SMILESCC(Nc1ncccn1)C(=O)N1CCNCC1
InChIInChI=1S/C11H17N5O/c1-9(15-11-13-3-2-4-14-11)10(17)16-7-5-12-6-8-16/h2-4,9,12H,5-8H2,1H3,(H,13,14,15)
InChIKeyPKNCZICDYFGEIA-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.29
Rot. Bonds3

About 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one

1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one (PubChem CID 82510577) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one
PubChem CID82510577
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one
SMILESCC(Nc1ncccn1)C(=O)N1CCNCC1
InChIInChI=1S/C11H17N5O/c1-9(15-11-13-3-2-4-14-11)10(17)16-7-5-12-6-8-16/h2-4,9,12H,5-8H2,1H3,(H,13,14,15)
InChIKeyPKNCZICDYFGEIA-UHFFFAOYSA-N
XLogP-0.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one?
The IUPAC name of 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one (CID 82510577) is 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one?
The canonical SMILES for 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one is CC(Nc1ncccn1)C(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one?
The InChIKey is PKNCZICDYFGEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9(15-11-13-3-2-4-14-11)10(17)16-7-5-12-6-8-16/h2-4,9,12H,5-8H2,1H3,(H,13,14,15).
What are the key properties of 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one?
1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one has a molecular weight of 235.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one is sourced from PubChem (CID 82510577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).