N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C20H25F2N5O — CID 172901800

IUPACN-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C20H25F2N5O/c1-25(19-2-4-23-20(24-19)27-6-8-28-9-7-27)18-3-5-26(14-18)13-15-10-16(21)12-17(22)11-15/h2,4,10-12,18H,3,5-9,13-14H2,1H3
InChIKeyXYUUYXBHJGEDOJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.30
Rot. Bonds5

About N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172901800) has the molecular formula C20H25F2N5O and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172901800
Molecular FormulaC20H25F2N5O
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C20H25F2N5O/c1-25(19-2-4-23-20(24-19)27-6-8-28-9-7-27)18-3-5-26(14-18)13-15-10-16(21)12-17(22)11-15/h2,4,10-12,18H,3,5-9,13-14H2,1H3
InChIKeyXYUUYXBHJGEDOJ-UHFFFAOYSA-N
XLogP2.30
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
N-[1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650362
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892594
N-methyl-2-morpholin-4-yl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902281
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
3-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 172903109
N-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172903374
N-methyl-2-morpholin-4-yl-N-[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902619
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172893196
5-methoxy-2-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]pyran-4-one
CID 172904093

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 172901800) is N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CN(c1ccnc(N2CCOCC2)n1)C1CCN(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is XYUUYXBHJGEDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O/c1-25(19-2-4-23-20(24-19)27-6-8-28-9-7-27)18-3-5-26(14-18)13-15-10-16(21)12-17(22)11-15/h2,4,10-12,18H,3,5-9,13-14H2,1H3.
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 389.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172901800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).