5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine

C14H22FN5O3S — CID 50957459

IUPAC5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCOC(CNc2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C14H22FN5O3S/c1-24(21,22)20-6-7-23-11(10-20)8-16-14-17-9-12(15)13(18-14)19-4-2-3-5-19/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyBDDKGMKLGQUHSQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.29
Rot. Bonds5

About 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine

5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 50957459) has the molecular formula C14H22FN5O3S and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID50957459
Molecular FormulaC14H22FN5O3S
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCS(=O)(=O)N1CCOC(CNc2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C14H22FN5O3S/c1-24(21,22)20-6-7-23-11(10-20)8-16-14-17-9-12(15)13(18-14)19-4-2-3-5-19/h9,11H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyBDDKGMKLGQUHSQ-UHFFFAOYSA-N
XLogP0.29
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
N-(1,1-dioxidotetrahydro-3-thienyl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50958997
N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}-N-methylmethanesulfonamide
CID 50962616
5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56866727
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-(2,2-difluoroethyl)-5-fluoro-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidin-4-amine
CID 132317114
5-Fluoro-2-pyrrolidin-3-yloxypyrimidin-4-amine
CID 66649936
5-Fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80764372
5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 80766838
5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 80777963
4-(2-Ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine
CID 80787148
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701506

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 50957459) is 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is CS(=O)(=O)N1CCOC(CNc2ncc(F)c(N3CCCC3)n2)C1.
What is the InChIKey of 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is BDDKGMKLGQUHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O3S/c1-24(21,22)20-6-7-23-11(10-20)8-16-14-17-9-12(15)13(18-14)19-4-2-3-5-19/h9,11H,2-8,10H2,1H3,(H,16,17,18).
What are the key properties of 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 359.43 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 50957459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).