N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine

C16H17F3N4O — CID 123660110

IUPACN-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc(C(F)(F)F)c(N2CCCC2)n1
InChIInChI=1S/C16H17F3N4O/c1-24-13-7-3-2-6-12(13)21-15-20-10-11(16(17,18)19)14(22-15)23-8-4-5-9-23/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,21,22)
InChIKeyIBFNROKEXLYHKM-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.85
Rot. Bonds4

About N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine

N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 123660110) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID123660110
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc(C(F)(F)F)c(N2CCCC2)n1
InChIInChI=1S/C16H17F3N4O/c1-24-13-7-3-2-6-12(13)21-15-20-10-11(16(17,18)19)14(22-15)23-8-4-5-9-23/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,21,22)
InChIKeyIBFNROKEXLYHKM-UHFFFAOYSA-N
XLogP3.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[2-(2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]piperidin-2-one
CID 174335076
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
N-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 769569
2-N-(2-methoxyphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112904592
N-[4-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 155462268
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
4-N-(2-methoxyphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112904547
N-[2-[[2-(2-methoxy-4-piperazin-1-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 142497273
4-[[4-[2-(methanesulfonamido)phenoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 46196519
1-[4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 118464953
3-(difluoromethoxy)-4-[[4-[(3S)-3-hydroxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 171598479
5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 170547389

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 123660110) is N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine is COc1ccccc1Nc1ncc(C(F)(F)F)c(N2CCCC2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is IBFNROKEXLYHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-24-13-7-3-2-6-12(13)21-15-20-10-11(16(17,18)19)14(22-15)23-8-4-5-9-23/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,21,22).
What are the key properties of N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 338.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 123660110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).