2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C13H20FN5O — CID 154627788

IUPAC2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN1C[C@H](F)C[C@H]1COc1nc(N)c2c(n1)CNCC2
InChIInChI=1S/C13H20FN5O/c1-19-6-8(14)4-9(19)7-20-13-17-11-5-16-3-2-10(11)12(15)18-13/h8-9,16H,2-7H2,1H3,(H2,15,17,18)/t8-,9+/m1/s1
InChIKeyBOQMDICSWPOYTR-BDAKNGLRSA-N
MW281.33 g/mol
LogP0.13
Rot. Bonds3

About 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 154627788) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID154627788
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC Name2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCN1C[C@H](F)C[C@H]1COc1nc(N)c2c(n1)CNCC2
InChIInChI=1S/C13H20FN5O/c1-19-6-8(14)4-9(19)7-20-13-17-11-5-16-3-2-10(11)12(15)18-13/h8-9,16H,2-7H2,1H3,(H2,15,17,18)/t8-,9+/m1/s1
InChIKeyBOQMDICSWPOYTR-BDAKNGLRSA-N
XLogP0.13
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-acetyl-N~2~,N~2~,N~4~-trimethyl-N~4~-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56867377
2,7-dimethyl-N-(3-morpholin-4-ylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 92437544
2,7-dimethyl-N-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 92565073
2-N,2-N-dimethyl-4-N-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 164629529
2-N,2-N-dimethyl-4-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 171358995
(3S)-4-[2-chloro-7-(2,2-difluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59239647
4-[2-chloro-7-(2,2-difluoroethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 72241188
4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 132145006
(2S)-2-(cyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 132145247
tert-butyl 4-[2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 134326160
(2S)-2-(cyanomethyl)-4-[2-[[(2R,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylic acid
CID 138611132
tert-butyl (2S)-2-(cyanomethyl)-4-[2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 138611177

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 154627788) is 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CN1C[C@H](F)C[C@H]1COc1nc(N)c2c(n1)CNCC2.
What is the InChIKey of 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is BOQMDICSWPOYTR-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H20FN5O/c1-19-6-8(14)4-9(19)7-20-13-17-11-5-16-3-2-10(11)12(15)18-13/h8-9,16H,2-7H2,1H3,(H2,15,17,18)/t8-,9+/m1/s1.
What are the key properties of 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154627788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).