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

C19H23F2N5O — CID 172901044

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)C2)cc1F
InChIInChI=1S/C19H23F2N5O/c20-16-2-1-14(11-17(16)21)12-25-6-4-15(13-25)23-18-3-5-22-19(24-18)26-7-9-27-10-8-26/h1-3,5,11,15H,4,6-10,12-13H2,(H,22,23,24)
InChIKeyJLFCHIAVBSIGCT-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.28
Rot. Bonds5

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

N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172901044) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172901044
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)C2)cc1F
InChIInChI=1S/C19H23F2N5O/c20-16-2-1-14(11-17(16)21)12-25-6-4-15(13-25)23-18-3-5-22-19(24-18)26-7-9-27-10-8-26/h1-3,5,11,15H,4,6-10,12-13H2,(H,22,23,24)
InChIKeyJLFCHIAVBSIGCT-UHFFFAOYSA-N
XLogP2.28
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902467
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175650328
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901310
2-morpholin-4-yl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 175649604
N-[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903179
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648592
N-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901782

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172901044) is N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is Fc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)C2)cc1F.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JLFCHIAVBSIGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c20-16-2-1-14(11-17(16)21)12-25-6-4-15(13-25)23-18-3-5-22-19(24-18)26-7-9-27-10-8-26/h1-3,5,11,15H,4,6-10,12-13H2,(H,22,23,24).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 375.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172901044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).