7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine

C13H15ClN4O — CID 175747906

IUPAC7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine
SMILES[2H]c1nc(OC[C@@H]2CCCN2C)nc2nc(Cl)ccc12
InChIInChI=1S/C13H15ClN4O/c1-18-6-2-3-10(18)8-19-13-15-7-9-4-5-11(14)16-12(9)17-13/h4-5,7,10H,2-3,6,8H2,1H3/t10-/m0/s1/i7D
InChIKeyFRGHDXZUMYHRTK-KZKAPETNSA-N
MW279.75 g/mol
LogP2.15
Rot. Bonds3

About 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine

7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine (PubChem CID 175747906) has the molecular formula C13H15ClN4O and a molecular weight of 279.75 g/mol. Its IUPAC name is 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine
PubChem CID175747906
Molecular FormulaC13H15ClN4O
Molecular Weight279.75 g/mol
Exact Mass279.10
IUPAC Name7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine
SMILES[2H]c1nc(OC[C@@H]2CCCN2C)nc2nc(Cl)ccc12
InChIInChI=1S/C13H15ClN4O/c1-18-6-2-3-10(18)8-19-13-15-7-9-4-5-11(14)16-12(9)17-13/h4-5,7,10H,2-3,6,8H2,1H3/t10-/m0/s1/i7D
InChIKeyFRGHDXZUMYHRTK-KZKAPETNSA-N
XLogP2.15
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
The IUPAC name of 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine (CID 175747906) is 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine is [2H]c1nc(OC[C@@H]2CCCN2C)nc2nc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
The InChIKey is FRGHDXZUMYHRTK-KZKAPETNSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-18-6-2-3-10(18)8-19-13-15-7-9-4-5-11(14)16-12(9)17-13/h4-5,7,10H,2-3,6,8H2,1H3/t10-/m0/s1/i7D.
What are the key properties of 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine?
7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine has a molecular weight of 279.75 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-deuterio-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 175747906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).