5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine

C18H28ClN7OSi — CID 164740944

IUPAC5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)nc2c1c(Cl)cn2COCC[Si](C)(C)C
InChIInChI=1S/C18H28ClN7OSi/c1-12-14(10-25(3)24-12)21-18-22-16(20-2)15-13(19)9-26(17(15)23-18)11-27-7-8-28(4,5)6/h9-10H,7-8,11H2,1-6H3,(H2,20,21,22,23)
InChIKeyYNIYOPQPKSOYEF-UHFFFAOYSA-N
MW422.01 g/mol
LogP4.22
Rot. Bonds8

About 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 164740944) has the molecular formula C18H28ClN7OSi and a molecular weight of 422.01 g/mol. Its IUPAC name is 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID164740944
Molecular FormulaC18H28ClN7OSi
Molecular Weight422.01 g/mol
Exact Mass421.18
IUPAC Name5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)nc2c1c(Cl)cn2COCC[Si](C)(C)C
InChIInChI=1S/C18H28ClN7OSi/c1-12-14(10-25(3)24-12)21-18-22-16(20-2)15-13(19)9-26(17(15)23-18)11-27-7-8-28(4,5)6/h9-10H,7-8,11H2,1-6H3,(H2,20,21,22,23)
InChIKeyYNIYOPQPKSOYEF-UHFFFAOYSA-N
XLogP4.22
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.01
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 166600427
2-[4-[[4-methoxy-5-(trifluoromethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943584
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
2-[4-[[4-cyclopropyl-5-fluoro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943263
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
2-[4-[[6-ethoxy-9-(2-trimethylsilylethoxymethyl)purin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943254
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792
2,5-dichloro-N-[3-[3-methyl-4-nitro-1-(oxetan-3-yl)pyrazol-5-yl]oxypropyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 170590020
5-chloro-2-N-[2-methoxy-4-[4-[2-(methylamino)ethylamino]piperidin-1-yl]phenyl]-4-N-(1-methylsulfonyl-2,3-dihydroindol-7-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 174001639
4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 140943320
3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162477874
5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 167537057

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 164740944) is 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C)nc2C)nc2c1c(Cl)cn2COCC[Si](C)(C)C.
What is the InChIKey of 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YNIYOPQPKSOYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN7OSi/c1-12-14(10-25(3)24-12)21-18-22-16(20-2)15-13(19)9-26(17(15)23-18)11-27-7-8-28(4,5)6/h9-10H,7-8,11H2,1-6H3,(H2,20,21,22,23).
What are the key properties of 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 422.01 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 164740944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).