4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C13H14ClN5O — CID 141254540

IUPAC4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccnc(CN2CCc3c(Cl)nc(N)nc32)c1
InChIInChI=1S/C13H14ClN5O/c1-20-9-2-4-16-8(6-9)7-19-5-3-10-11(14)17-13(15)18-12(10)19/h2,4,6H,3,5,7H2,1H3,(H2,15,17,18)
InChIKeyMFFKPDQRIPHCNM-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.68
Rot. Bonds3

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

4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 141254540) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID141254540
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccnc(CN2CCc3c(Cl)nc(N)nc32)c1
InChIInChI=1S/C13H14ClN5O/c1-20-9-2-4-16-8(6-9)7-19-5-3-10-11(14)17-13(15)18-12(10)19/h2,4,6H,3,5,7H2,1H3,(H2,15,17,18)
InChIKeyMFFKPDQRIPHCNM-UHFFFAOYSA-N
XLogP1.68
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-yl)amine
CID 16736529
5-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methylpent-4-yn-2-ol
CID 11517212
2-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium
CID 16736528
6-chloro-9-[(6-chloro-4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736531
4-Chloranyl-1-[(4-Methoxy-3,5-Dimethyl-Pyridin-2-Yl)methyl]pyrazolo[3,4-D]pyrimidin-6-Amine
CID 58762794
4-Chloranyl-7-[(4-Methoxy-3,5-Dimethyl-Pyridin-2-Yl)methyl]-5-(Phenylmethyl)pyrrolo[2,3-D]pyrimidin-2-Amine
CID 131704417
3-[2-amino-4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-7H-pyrrolo [2,3-d]pyrimidin-5-yl]-prop-2-yn-1-ol
CID 11950337
4-Chloro-5-ethynyl-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 71463004
6-chloro-9-[(4-ethoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736530
6-chloro-9-{[3,5-dimethyl-4-(propan-2-yloxy)pyridin-2-yl]methyl}-9H-purin-2-amine
CID 16737556
4-Chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 11415875
4-[2-Amino-4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-but-3-yn-1-ol
CID 11950510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 141254540) is 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is COc1ccnc(CN2CCc3c(Cl)nc(N)nc32)c1.
What is the InChIKey of 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MFFKPDQRIPHCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-20-9-2-4-16-8(6-9)7-19-5-3-10-11(14)17-13(15)18-12(10)19/h2,4,6H,3,5,7H2,1H3,(H2,15,17,18).
What are the key properties of 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 291.74 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141254540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).