4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H16F3N5O3S — CID 141126375

IUPAC4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O3S/c1-23(20,21)19-2-3-22-7(6-19)4-16-9-8(11(12,13)14)5-17-10(15)18-9/h5,7H,2-4,6H2,1H3,(H3,15,16,17,18)
InChIKeyDYWVHJSDGKXROA-UHFFFAOYSA-N
MW355.34 g/mol
LogP0.15
Rot. Bonds4

About 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 141126375) has the molecular formula C11H16F3N5O3S and a molecular weight of 355.34 g/mol. Its IUPAC name is 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID141126375
Molecular FormulaC11H16F3N5O3S
Molecular Weight355.34 g/mol
Exact Mass355.09
IUPAC Name4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O3S/c1-23(20,21)19-2-3-22-7(6-19)4-16-9-8(11(12,13)14)5-17-10(15)18-9/h5,7H,2-4,6H2,1H3,(H3,15,16,17,18)
InChIKeyDYWVHJSDGKXROA-UHFFFAOYSA-N
XLogP0.15
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(2,2-difluoroethyl)-5-fluoro-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidin-4-amine
CID 132317114
N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 126568334
N-(2-butan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 129014326
N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 131996525
(1R,2S)-1-(2,2-difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 134532121
1-(2,2-Difluoroethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 139509019
4-N-[(1-methylsulfonylpiperidin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126352
4-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126356
1-[2-[[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]ethanone
CID 141126361
N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine
CID 141126366

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 141126375) is 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CS(=O)(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1.
What is the InChIKey of 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DYWVHJSDGKXROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O3S/c1-23(20,21)19-2-3-22-7(6-19)4-16-9-8(11(12,13)14)5-17-10(15)18-9/h5,7H,2-4,6H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 355.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141126375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).