4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide

C10H15N5O3S — CID 100982242

IUPAC4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide
SMILESCOCCOCn1cc(S(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H15N5O3S/c1-17-2-3-18-6-15-4-7(19(12)16)8-9(11)13-5-14-10(8)15/h4-5H,2-3,6,12H2,1H3,(H2,11,13,14)
InChIKeyLSMZDKFKSWITDJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.38
Rot. Bonds6

About 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide

4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide (PubChem CID 100982242) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide.

Molecular Properties

Compound Name4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide
PubChem CID100982242
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide
SMILESCOCCOCn1cc(S(N)=O)c2c(N)ncnc21
InChIInChI=1S/C10H15N5O3S/c1-17-2-3-18-6-15-4-7(19(12)16)8-9(11)13-5-14-10(8)15/h4-5H,2-3,6,12H2,1H3,(H2,11,13,14)
InChIKeyLSMZDKFKSWITDJ-UHFFFAOYSA-N
XLogP-0.38
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10564387
3-(4-chlorophenyl)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633694
tert-butyl 4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 170747040
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
5-amino-3-(2-methoxyethoxymethyl)imidazole-4-carbonitrile
CID 165350777
5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione
CID 165473870
4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 510418
2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate
CID 10424192
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661
9-(2-prop-2-enoxyethoxymethyl)purin-6-amine
CID 10824507
9-(2-chloroethoxymethyl)purin-6-amine
CID 10013983

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide?
The IUPAC name of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide (CID 100982242) is 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide.
What is the SMILES notation for 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide?
The canonical SMILES for 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide is COCCOCn1cc(S(N)=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide?
The InChIKey is LSMZDKFKSWITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-17-2-3-18-6-15-4-7(19(12)16)8-9(11)13-5-14-10(8)15/h4-5H,2-3,6,12H2,1H3,(H2,11,13,14).
What are the key properties of 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide?
4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide has a molecular weight of 285.33 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-sulfinamide is sourced from PubChem (CID 100982242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).