6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine

C20H25N7O4S — CID 58234006

IUPAC6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4cncnc4)nc(N4CCOCC4)c3o2)CC1
InChIInChI=1S/C20H25N7O4S/c1-32(28,29)27-4-2-25(3-5-27)13-16-10-17-18(31-16)20(26-6-8-30-9-7-26)24-19(23-17)15-11-21-14-22-12-15/h10-12,14H,2-9,13H2,1H3
InChIKeyRZDHSETVTNFKSF-UHFFFAOYSA-N
MW459.53 g/mol
LogP0.59
Rot. Bonds5

About 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine

6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine (PubChem CID 58234006) has the molecular formula C20H25N7O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine
PubChem CID58234006
Molecular FormulaC20H25N7O4S
Molecular Weight459.53 g/mol
Exact Mass459.17
IUPAC Name6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4cncnc4)nc(N4CCOCC4)c3o2)CC1
InChIInChI=1S/C20H25N7O4S/c1-32(28,29)27-4-2-25(3-5-27)13-16-10-17-18(31-16)20(26-6-8-30-9-7-26)24-19(23-17)15-11-21-14-22-12-15/h10-12,14H,2-9,13H2,1H3
InChIKeyRZDHSETVTNFKSF-UHFFFAOYSA-N
XLogP0.59
TPSA117.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidine
CID 24995736
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
4-[2-(2-methylpyrimidin-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24948735
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697346
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 46180663
[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]-3-pyridinyl]methanol
CID 58233987
4-[9-methyl-8-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridin-3-ylpurin-6-yl]morpholine
CID 44543874
4-[2-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59582499
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 118213798
4-[2-(2-methyl-3H-benzimidazol-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24995106
6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 118234761
[3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]phenyl]methanol
CID 59688537

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine (CID 58234006) is 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine is CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cncnc4)nc(N4CCOCC4)c3o2)CC1.
What is the InChIKey of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine?
The InChIKey is RZDHSETVTNFKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4S/c1-32(28,29)27-4-2-25(3-5-27)13-16-10-17-18(31-16)20(26-6-8-30-9-7-26)24-19(23-17)15-11-21-14-22-12-15/h10-12,14H,2-9,13H2,1H3.
What are the key properties of 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine?
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine has a molecular weight of 459.53 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 58234006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).