N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C19H25FN4O2 — CID 133419706

IUPACN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCN(c3cc(OC)cc(OC)c3)C2)c1F
InChIInChI=1S/C19H25FN4O2/c1-4-17-18(20)19(23-12-22-17)21-10-13-5-6-24(11-13)14-7-15(25-2)9-16(8-14)26-3/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,21,22,23)
InChIKeyCATYMFMIDWBJIB-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.13
Rot. Bonds7

About N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133419706) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133419706
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCN(c3cc(OC)cc(OC)c3)C2)c1F
InChIInChI=1S/C19H25FN4O2/c1-4-17-18(20)19(23-12-22-17)21-10-13-5-6-24(11-13)14-7-15(25-2)9-16(8-14)26-3/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,21,22,23)
InChIKeyCATYMFMIDWBJIB-UHFFFAOYSA-N
XLogP3.13
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162
6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133419771
N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 124572827
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine
CID 125437374
5-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 122054293
N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 106127963
N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine
CID 133420175
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 154750165
(2S)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]butanamide
CID 119898755
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 102563230
(2R)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119898744
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 133419706) is N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCC2CCN(c3cc(OC)cc(OC)c3)C2)c1F.
What is the InChIKey of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is CATYMFMIDWBJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-4-17-18(20)19(23-12-22-17)21-10-13-5-6-24(11-13)14-7-15(25-2)9-16(8-14)26-3/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 360.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133419706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).