N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine

C12H17F3N4O3S — CID 141126366

IUPACN-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1CCNc1ncncc1C(F)(F)F
InChIInChI=1S/C12H17F3N4O3S/c1-23(20,21)19-4-5-22-7-9(19)2-3-17-11-10(12(13,14)15)6-16-8-18-11/h6,8-9H,2-5,7H2,1H3,(H,16,17,18)/t9-/m1/s1
InChIKeyCPNITOLUHFHWQF-SECBINFHSA-N
MW354.35 g/mol
LogP0.96
Rot. Bonds5

About N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine

N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141126366) has the molecular formula C12H17F3N4O3S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141126366
Molecular FormulaC12H17F3N4O3S
Molecular Weight354.35 g/mol
Exact Mass354.10
IUPAC NameN-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCOC[C@H]1CCNc1ncncc1C(F)(F)F
InChIInChI=1S/C12H17F3N4O3S/c1-23(20,21)19-4-5-22-7-9(19)2-3-17-11-10(12(13,14)15)6-16-8-18-11/h6,8-9H,2-5,7H2,1H3,(H,16,17,18)/t9-/m1/s1
InChIKeyCPNITOLUHFHWQF-SECBINFHSA-N
XLogP0.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}-N-methylmethanesulfonamide
CID 50962616
N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 126568334
4-N-[(1-methylsulfonylpiperidin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126352
N-(1-methoxybutan-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 141126355
4-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126356
4-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126375
4-N-[(4-ethylsulfonylmorpholin-2-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126380
4-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126383
N-[[(3R)-4-methylsulfonylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine
CID 141126384
4-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126386
2-N-(1-ethenylsulfonylpiperidin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141418201
1,1,1-trifluoro-N-[5-methyl-4-(pentan-3-ylamino)pyrimidin-2-yl]methanesulfonamide
CID 163283414

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine (CID 141126366) is N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine is CS(=O)(=O)N1CCOC[C@H]1CCNc1ncncc1C(F)(F)F.
What is the InChIKey of N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CPNITOLUHFHWQF-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F3N4O3S/c1-23(20,21)19-4-5-22-7-9(19)2-3-17-11-10(12(13,14)15)6-16-8-18-11/h6,8-9H,2-5,7H2,1H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine?
N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 354.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-4-methylsulfonylmorpholin-3-yl]ethyl]-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141126366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).