(2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H19Cl2N5O2S — CID 122343272

IUPAC(2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H19Cl2N5O2S/c18-13-9-12(16(19)27-13)17(25)24-3-1-22(2-4-24)14-10-15(21-11-20-14)23-5-7-26-8-6-23/h9-11H,1-8H2
InChIKeyPDSRVMXZWQDVPW-UHFFFAOYSA-N
MW428.35 g/mol
LogP2.64
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122343272) has the molecular formula C17H19Cl2N5O2S and a molecular weight of 428.35 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122343272
Molecular FormulaC17H19Cl2N5O2S
Molecular Weight428.35 g/mol
Exact Mass427.06
IUPAC Name(2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H19Cl2N5O2S/c18-13-9-12(16(19)27-13)17(25)24-3-1-22(2-4-24)14-10-15(21-11-20-14)23-5-7-26-8-6-23/h9-11H,1-8H2
InChIKeyPDSRVMXZWQDVPW-UHFFFAOYSA-N
XLogP2.64
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337339
(2,5-dichlorothiophen-3-yl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345540
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
[4-(3-chlorophenyl)piperazin-1-yl]-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 91816383
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624
(2,5-dichlorothiophen-3-yl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348487
(2,5-dichlorothiophen-3-yl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41116764
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921210
cis-(1R,3S)-2,2-dimethyl-3-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122343272) is (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1cc(Cl)sc1Cl)N1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is PDSRVMXZWQDVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2S/c18-13-9-12(16(19)27-13)17(25)24-3-1-22(2-4-24)14-10-15(21-11-20-14)23-5-7-26-8-6-23/h9-11H,1-8H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 428.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122343272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).