N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine

C15H25N5O3S — CID 95131678

IUPACN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)N1CCC[C@H](CNc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C15H25N5O3S/c1-24(21,22)20-4-2-3-13(11-20)10-16-14-9-15(18-12-17-14)19-5-7-23-8-6-19/h9,12-13H,2-8,10-11H2,1H3,(H,16,17,18)/t13-/m1/s1
InChIKeyRSPSZGPLYDPMHS-CYBMUJFWSA-N
MW355.46 g/mol
LogP0.40
Rot. Bonds5

About N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 95131678) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID95131678
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)N1CCC[C@H](CNc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C15H25N5O3S/c1-24(21,22)20-4-2-3-13(11-20)10-16-14-9-15(18-12-17-14)19-5-7-23-8-6-19/h9,12-13H,2-8,10-11H2,1H3,(H,16,17,18)/t13-/m1/s1
InChIKeyRSPSZGPLYDPMHS-CYBMUJFWSA-N
XLogP0.40
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-6-[4-(oxan-4-yl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 84590308
1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine
CID 79778965
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-pyrrolidin-1-ylpyrazine
CID 110257244
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80914226
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399661
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 127494212

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 95131678) is N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine is CS(=O)(=O)N1CCC[C@H](CNc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is RSPSZGPLYDPMHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-24(21,22)20-4-2-3-13(11-20)10-16-14-9-15(18-12-17-14)19-5-7-23-8-6-19/h9,12-13H,2-8,10-11H2,1H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 355.46 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 95131678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).