2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine

C11H15ClN4O2S — CID 61044838

IUPAC2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine
SMILESO=S(=O)(c1cnc(Cl)nc1)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H15ClN4O2S/c12-11-13-7-10(8-14-11)19(17,18)16-5-3-15(4-6-16)9-1-2-9/h7-9H,1-6H2
InChIKeyMRMRPDVILAZOHN-UHFFFAOYSA-N
MW302.79 g/mol
LogP0.60
Rot. Bonds3

About 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine

2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine (PubChem CID 61044838) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine
PubChem CID61044838
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine
SMILESO=S(=O)(c1cnc(Cl)nc1)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H15ClN4O2S/c12-11-13-7-10(8-14-11)19(17,18)16-5-3-15(4-6-16)9-1-2-9/h7-9H,1-6H2
InChIKeyMRMRPDVILAZOHN-UHFFFAOYSA-N
XLogP0.60
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
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1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
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5-(4-cyclopentylpiperazin-1-yl)sulfonylpyridin-2-amine
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2-chloro-5-(4-prop-2-ynylpiperazin-1-yl)sulfonylpyrimidine
CID 61046652
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 126784700
2-chloro-5-[4-(3-methylbutyl)piperazin-1-yl]sulfonylpyrimidine
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1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
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2-chloro-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine?
The IUPAC name of 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine (CID 61044838) is 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine.
What is the SMILES notation for 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine?
The canonical SMILES for 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine is O=S(=O)(c1cnc(Cl)nc1)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine?
The InChIKey is MRMRPDVILAZOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c12-11-13-7-10(8-14-11)19(17,18)16-5-3-15(4-6-16)9-1-2-9/h7-9H,1-6H2.
What are the key properties of 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine?
2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine has a molecular weight of 302.79 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-cyclopropylpiperazin-1-yl)sulfonylpyrimidine is sourced from PubChem (CID 61044838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).