5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine

C24H30N8O2S — CID 143808643

IUPAC5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
SMILESCS(=O)N1CCN(Cc2cccc(-c3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)c2)CC1
InChIInChI=1S/C24H30N8O2S/c1-35(33)32-7-5-30(6-8-32)17-18-3-2-4-19(13-18)21-14-22(20-15-26-23(25)27-16-20)29-24(28-21)31-9-11-34-12-10-31/h2-4,13-16H,5-12,17H2,1H3,(H2,25,26,27)
InChIKeyOXDJVCSFFULCOP-UHFFFAOYSA-N
MW494.63 g/mol
LogP1.43
Rot. Bonds6

About 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine

5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 143808643) has the molecular formula C24H30N8O2S and a molecular weight of 494.63 g/mol. Its IUPAC name is 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
PubChem CID143808643
Molecular FormulaC24H30N8O2S
Molecular Weight494.63 g/mol
Exact Mass494.22
IUPAC Name5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
SMILESCS(=O)N1CCN(Cc2cccc(-c3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)c2)CC1
InChIInChI=1S/C24H30N8O2S/c1-35(33)32-7-5-30(6-8-32)17-18-3-2-4-19(13-18)21-14-22(20-15-26-23(25)27-16-20)29-24(28-21)31-9-11-34-12-10-31/h2-4,13-16H,5-12,17H2,1H3,(H2,25,26,27)
InChIKeyOXDJVCSFFULCOP-UHFFFAOYSA-N
XLogP1.43
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613997
5-[6-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42612961
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 68918086
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74244355
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
CID 42613361
5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
CID 56857435
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507502
5-[6-[4-[(dimethylamino)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613036
5-[7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 59628469

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine (CID 143808643) is 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine is CS(=O)N1CCN(Cc2cccc(-c3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)c2)CC1.
What is the InChIKey of 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is OXDJVCSFFULCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2S/c1-35(33)32-7-5-30(6-8-32)17-18-3-2-4-19(13-18)21-14-22(20-15-26-23(25)27-16-20)29-24(28-21)31-9-11-34-12-10-31/h2-4,13-16H,5-12,17H2,1H3,(H2,25,26,27).
What are the key properties of 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine?
5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 494.63 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[(4-methylsulfinylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 143808643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).