(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H24N6O — CID 52991131

IUPAC(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CC(C(=O)N2CCN(c3ncccn3)CC2)NN1
InChIInChI=1S/C15H24N6O/c1-11(2)12-10-13(19-18-12)14(22)20-6-8-21(9-7-20)15-16-4-3-5-17-15/h3-5,11-13,18-19H,6-10H2,1-2H3
InChIKeyVLOYOHSHEYXRCO-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.02
Rot. Bonds3

About (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 52991131) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID52991131
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)C1CC(C(=O)N2CCN(c3ncccn3)CC2)NN1
InChIInChI=1S/C15H24N6O/c1-11(2)12-10-13(19-18-12)14(22)20-6-8-21(9-7-20)15-16-4-3-5-17-15/h3-5,11-13,18-19H,6-10H2,1-2H3
InChIKeyVLOYOHSHEYXRCO-UHFFFAOYSA-N
XLogP0.02
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 110696756
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one
CID 110695493
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
(1R,2S,3R,4R)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98140474
[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 72879018
[9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-11-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 75615964
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119827954

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 52991131) is (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)C1CC(C(=O)N2CCN(c3ncccn3)CC2)NN1.
What is the InChIKey of (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VLOYOHSHEYXRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-11(2)12-10-13(19-18-12)14(22)20-6-8-21(9-7-20)15-16-4-3-5-17-15/h3-5,11-13,18-19H,6-10H2,1-2H3.
What are the key properties of (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 304.40 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 52991131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).