7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine

C13H15ClFN5O — CID 155629906

IUPAC7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CCC[C@H]1COc1nc(N)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C13H15ClFN5O/c1-20-4-2-3-7(20)6-21-13-18-10-8(12(16)19-13)5-17-11(14)9(10)15/h5,7H,2-4,6H2,1H3,(H2,16,18,19)/t7-/m0/s1
InChIKeyRNMQDGTVKMGZCD-ZETCQYMHSA-N
MW311.75 g/mol
LogP1.87
Rot. Bonds3

About 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine

7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 155629906) has the molecular formula C13H15ClFN5O and a molecular weight of 311.75 g/mol. Its IUPAC name is 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID155629906
Molecular FormulaC13H15ClFN5O
Molecular Weight311.75 g/mol
Exact Mass311.09
IUPAC Name7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CCC[C@H]1COc1nc(N)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C13H15ClFN5O/c1-20-4-2-3-7(20)6-21-13-18-10-8(12(16)19-13)5-17-11(14)9(10)15/h5,7H,2-4,6H2,1H3,(H2,16,18,19)/t7-/m0/s1
InChIKeyRNMQDGTVKMGZCD-ZETCQYMHSA-N
XLogP1.87
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-Chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine
CID 154644092
tert-butyl (2S)-4-[7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate
CID 154644219
2-[(2S)-4-[7-[(1Z)-1-(2-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methyliminoethyl]-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetonitrile
CID 154644389
tert-butyl (2S)-4-[7-chloro-8-fluoro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate
CID 154644422
tert-butyl 3-[7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 155210957
(2S)-4-[7-chloro-2-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylic acid
CID 155210983
(2S)-4-[7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylic acid
CID 155211026
4-[7-Chloro-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylic acid
CID 155211027
(3S)-4-[7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 155211103
4-[7-Chloro-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 155211106
(2S)-4-[7-chloro-8-fluoro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylic acid
CID 155211121
(2S)-4-[7-chloro-8-fluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylic acid
CID 155211228

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine (CID 155629906) is 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine is CN1CCC[C@H]1COc1nc(N)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is RNMQDGTVKMGZCD-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H15ClFN5O/c1-20-4-2-3-7(20)6-21-13-18-10-8(12(16)19-13)5-17-11(14)9(10)15/h5,7H,2-4,6H2,1H3,(H2,16,18,19)/t7-/m0/s1.
What are the key properties of 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine?
7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 311.75 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155629906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).