5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C20H28N8O4S — CID 70793818

IUPAC5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(CC2Cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3O2)CC1
InChIInChI=1S/C20H28N8O4S/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h11-12,15H,2-10,13H2,1H3,(H2,21,22,23)
InChIKeyQZXMYOZTAXHQMN-UHFFFAOYSA-N
MW476.56 g/mol
LogP-0.77
Rot. Bonds5

About 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 70793818) has the molecular formula C20H28N8O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID70793818
Molecular FormulaC20H28N8O4S
Molecular Weight476.56 g/mol
Exact Mass476.20
IUPAC Name5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(CC2Cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3O2)CC1
InChIInChI=1S/C20H28N8O4S/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h11-12,15H,2-10,13H2,1H3,(H2,21,22,23)
InChIKeyQZXMYOZTAXHQMN-UHFFFAOYSA-N
XLogP-0.77
TPSA139.90 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
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
5-[6-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 24948546
4-[2-(2-methylpyrimidin-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24948735
2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetaldehyde
CID 87200590
5-[7-(fluoromethyl)-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 73427037
5-[9-(2-methylpropyl)-8-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine;5-[9-(2-methylpropyl)-6-morpholin-4-yl-8-piperazin-1-ylpurin-2-yl]pyrimidin-2-amine
CID 159806314
5-[6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58233915
5-[3-[[4-(methyl-methylidene-oxo-λ6-sulfanyl)piperazin-1-yl]methyl]-8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl]pyrimidin-2-amine
CID 159915750
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613997
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 46180663
5-[4-morpholin-4-yl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58234082

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 70793818) is 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is CS(=O)(=O)N1CCN(CC2Cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3O2)CC1.
What is the InChIKey of 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is QZXMYOZTAXHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O4S/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h11-12,15H,2-10,13H2,1H3,(H2,21,22,23).
What are the key properties of 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 476.56 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 70793818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).