4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine

C16H18Cl2N4S — CID 133416150

IUPAC4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine
SMILESClc1cc(N2CCN(Cc3ccc(Cl)s3)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H18Cl2N4S/c17-13-9-15(20-16(19-13)11-1-2-11)22-7-5-21(6-8-22)10-12-3-4-14(18)23-12/h3-4,9,11H,1-2,5-8,10H2
InChIKeyJPBZNIHIFMRIDG-UHFFFAOYSA-N
MW369.32 g/mol
LogP4.04
Rot. Bonds4

About 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine

4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine (PubChem CID 133416150) has the molecular formula C16H18Cl2N4S and a molecular weight of 369.32 g/mol. Its IUPAC name is 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine
PubChem CID133416150
Molecular FormulaC16H18Cl2N4S
Molecular Weight369.32 g/mol
Exact Mass368.06
IUPAC Name4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine
SMILESClc1cc(N2CCN(Cc3ccc(Cl)s3)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H18Cl2N4S/c17-13-9-15(20-16(19-13)11-1-2-11)22-7-5-21(6-8-22)10-12-3-4-14(18)23-12/h3-4,9,11H,1-2,5-8,10H2
InChIKeyJPBZNIHIFMRIDG-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine (CID 133416150) is 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine is Clc1cc(N2CCN(Cc3ccc(Cl)s3)CC2)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine?
The InChIKey is JPBZNIHIFMRIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4S/c17-13-9-15(20-16(19-13)11-1-2-11)22-7-5-21(6-8-22)10-12-3-4-14(18)23-12/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine?
4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine has a molecular weight of 369.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-cyclopropylpyrimidine is sourced from PubChem (CID 133416150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).