(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C14H20ClN5O4S — CID 87606299

IUPAC(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H20ClN5O4S/c1-25(22,23)20-4-2-18(3-5-20)13(21)11-10-12(15)17-14(16-11)19-6-8-24-9-7-19/h10H,2-9H2,1H3
InChIKeyFZWVXFNVGQAAKP-UHFFFAOYSA-N
MW389.87 g/mol
LogP-0.32
Rot. Bonds3

About (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 87606299) has the molecular formula C14H20ClN5O4S and a molecular weight of 389.87 g/mol. Its IUPAC name is (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID87606299
Molecular FormulaC14H20ClN5O4S
Molecular Weight389.87 g/mol
Exact Mass389.09
IUPAC Name(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H20ClN5O4S/c1-25(22,23)20-4-2-18(3-5-20)13(21)11-10-12(15)17-14(16-11)19-6-8-24-9-7-19/h10H,2-9H2,1H3
InChIKeyFZWVXFNVGQAAKP-UHFFFAOYSA-N
XLogP-0.32
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 87606299) is (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is FZWVXFNVGQAAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O4S/c1-25(22,23)20-4-2-18(3-5-20)13(21)11-10-12(15)17-14(16-11)19-6-8-24-9-7-19/h10H,2-9H2,1H3.
What are the key properties of (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 389.87 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 87606299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).