methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate

C18H22ClN5O3 — CID 75274304

IUPACmethyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cnc(C)c(OC)c2C)c2nc(N)nc(Cl)c21
InChIInChI=1S/C18H22ClN5O3/c1-9-12(6-21-10(2)15(9)27-4)8-24-7-11(5-13(25)26-3)14-16(19)22-18(20)23-17(14)24/h6,11H,5,7-8H2,1-4H3,(H2,20,22,23)
InChIKeyUFKGMWZWXSVWNS-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.40
Rot. Bonds5

About methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate

methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate (PubChem CID 75274304) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate
PubChem CID75274304
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Namemethyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cnc(C)c(OC)c2C)c2nc(N)nc(Cl)c21
InChIInChI=1S/C18H22ClN5O3/c1-9-12(6-21-10(2)15(9)27-4)8-24-7-11(5-13(25)26-3)14-16(19)22-18(20)23-17(14)24/h6,11H,5,7-8H2,1-4H3,(H2,20,22,23)
InChIKeyUFKGMWZWXSVWNS-UHFFFAOYSA-N
XLogP2.40
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5R)-2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide
CID 49763114
(2,3,4,5,6-Pentafluorophenyl) 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate
CID 49764216
2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)pyridin-2-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide
CID 75273873
2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)pyridin-2-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-hydroxyacetamide
CID 75274394
(2,3,4,5,6-pentafluorophenyl) 2-[(5R)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate
CID 87577068
2-[2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)pyridin-2-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-methylacetamide
CID 89025655
2-[2-Amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)pyridin-2-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetamide
CID 89025658
2-[(5R)-2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)pyridin-2-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-methylacetamide
CID 144069049
2-[(5R)-2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-hydroxyacetamide
CID 49764973
2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one
CID 11151765
2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
CID 11279051
4-Chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 11301568

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate (CID 75274304) is methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate is COC(=O)CC1CN(Cc2cnc(C)c(OC)c2C)c2nc(N)nc(Cl)c21.
What is the InChIKey of methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate?
The InChIKey is UFKGMWZWXSVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-9-12(6-21-10(2)15(9)27-4)8-24-7-11(5-13(25)26-3)14-16(19)22-18(20)23-17(14)24/h6,11H,5,7-8H2,1-4H3,(H2,20,22,23).
What are the key properties of methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate?
methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate has a molecular weight of 391.86 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate is sourced from PubChem (CID 75274304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).