5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one

C21H24ClN5O5 — CID 91516382

IUPAC5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one
SMILESCOc1cc2cc(-c3c(Cl)nc(N(C)C)nc3NC3CC(CO)C(O)C3=O)oc2c(C)n1
InChIInChI=1S/C21H24ClN5O5/c1-9-18-10(7-14(23-9)31-4)6-13(32-18)15-19(22)25-21(27(2)3)26-20(15)24-12-5-11(8-28)16(29)17(12)30/h6-7,11-12,16,28-29H,5,8H2,1-4H3,(H,24,25,26)
InChIKeyLCWZQDRKIHPDES-UHFFFAOYSA-N
MW461.91 g/mol
LogP2.04
Rot. Bonds6

About 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one

5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one (PubChem CID 91516382) has the molecular formula C21H24ClN5O5 and a molecular weight of 461.91 g/mol. Its IUPAC name is 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one
PubChem CID91516382
Molecular FormulaC21H24ClN5O5
Molecular Weight461.91 g/mol
Exact Mass461.15
IUPAC Name5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one
SMILESCOc1cc2cc(-c3c(Cl)nc(N(C)C)nc3NC3CC(CO)C(O)C3=O)oc2c(C)n1
InChIInChI=1S/C21H24ClN5O5/c1-9-18-10(7-14(23-9)31-4)6-13(32-18)15-19(22)25-21(27(2)3)26-20(15)24-12-5-11(8-28)16(29)17(12)30/h6-7,11-12,16,28-29H,5,8H2,1-4H3,(H,24,25,26)
InChIKeyLCWZQDRKIHPDES-UHFFFAOYSA-N
XLogP2.04
TPSA133.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one (CID 91516382) is 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one is COc1cc2cc(-c3c(Cl)nc(N(C)C)nc3NC3CC(CO)C(O)C3=O)oc2c(C)n1.
What is the InChIKey of 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is LCWZQDRKIHPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O5/c1-9-18-10(7-14(23-9)31-4)6-13(32-18)15-19(22)25-21(27(2)3)26-20(15)24-12-5-11(8-28)16(29)17(12)30/h6-7,11-12,16,28-29H,5,8H2,1-4H3,(H,24,25,26).
What are the key properties of 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one?
5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 461.91 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-2-(dimethylamino)-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-hydroxy-3-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 91516382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).