5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

C19H26N10O3S — CID 118213798

IUPAC5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nn3n2)CC1
InChIInChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-15-10-16-18(27-6-8-32-9-7-27)23-17(25-29(16)24-15)14-11-21-19(20)22-12-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
InChIKeyZWIIJCPSSAIJGG-UHFFFAOYSA-N
MW474.55 g/mol
LogP-0.92
Rot. Bonds5

About 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine (PubChem CID 118213798) has the molecular formula C19H26N10O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
PubChem CID118213798
Molecular FormulaC19H26N10O3S
Molecular Weight474.55 g/mol
Exact Mass474.19
IUPAC Name5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nn3n2)CC1
InChIInChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-15-10-16-18(27-6-8-32-9-7-27)23-17(25-29(16)24-15)14-11-21-19(20)22-12-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
InChIKeyZWIIJCPSSAIJGG-UHFFFAOYSA-N
XLogP-0.92
TPSA147.97 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.55
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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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-[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-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 70793818
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613997
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
5-[2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 53354044
5-[4-morpholin-4-yl-2-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyrazin-6-yl]pyrimidin-2-amine
CID 67294692
(2R)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 121300715
5-[6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58233915
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70693248
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-pyrimidin-5-ylfuro[3,2-d]pyrimidine
CID 58234006

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 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) is 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nn3n2)CC1.
What is the InChIKey of 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The InChIKey is ZWIIJCPSSAIJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-15-10-16-18(27-6-8-32-9-7-27)23-17(25-29(16)24-15)14-11-21-19(20)22-12-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22).
What are the key properties of 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine has a molecular weight of 474.55 g/mol, XLogP of -0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrazolo[5,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 118213798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).