N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C13H19F3N4O3S — CID 56865810

IUPACN-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCOC(CNc2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4O3S/c1-24(21,22)20-6-7-23-11(9-20)8-18-12-17-5-3-10(19-12)2-4-13(14,15)16/h3,5,11H,2,4,6-9H2,1H3,(H,17,18,19)
InChIKeyZYBVIEGRTWFTLK-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.04
Rot. Bonds6

About N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56865810) has the molecular formula C13H19F3N4O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56865810
Molecular FormulaC13H19F3N4O3S
Molecular Weight368.38 g/mol
Exact Mass368.11
IUPAC NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCS(=O)(=O)N1CCOC(CNc2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C13H19F3N4O3S/c1-24(21,22)20-6-7-23-11(9-20)8-18-12-17-5-3-10(19-12)2-4-13(14,15)16/h3,5,11H,2,4,6-9H2,1H3,(H,17,18,19)
InChIKeyZYBVIEGRTWFTLK-UHFFFAOYSA-N
XLogP1.04
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 50957598
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862385
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
N-{1-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]piperidin-4-YL}methanesulfonamide
CID 56863350
4-[4-(3,3,3-Trifluoropropyl)-2-pyrimidinyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane dihydrochloride
CID 56863713
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864271
1-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}propan-2-OL
CID 56866102
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479
(3S*,4R*)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
2-[4-(Ethylsulfonyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56872410
N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56873098

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56865810) is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CS(=O)(=O)N1CCOC(CNc2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is ZYBVIEGRTWFTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O3S/c1-24(21,22)20-6-7-23-11(9-20)8-18-12-17-5-3-10(19-12)2-4-13(14,15)16/h3,5,11H,2,4,6-9H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 368.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56865810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).