N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H16N4O — CID 50950589

IUPACN-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CCOc1ccccc1)c1ncnc2[nH]ccc12
InChIInChI=1S/C15H16N4O/c1-19(9-10-20-12-5-3-2-4-6-12)15-13-7-8-16-14(13)17-11-18-15/h2-8,11H,9-10H2,1H3,(H,16,17,18)
InChIKeyJMNCNUSSAGKOQS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.47
Rot. Bonds5

About N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 50950589) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID50950589
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(CCOc1ccccc1)c1ncnc2[nH]ccc12
InChIInChI=1S/C15H16N4O/c1-19(9-10-20-12-5-3-2-4-6-12)15-13-7-8-16-14(13)17-11-18-15/h2-8,11H,9-10H2,1H3,(H,16,17,18)
InChIKeyJMNCNUSSAGKOQS-UHFFFAOYSA-N
XLogP2.47
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 50950589) is N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(CCOc1ccccc1)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JMNCNUSSAGKOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(9-10-20-12-5-3-2-4-6-12)15-13-7-8-16-14(13)17-11-18-15/h2-8,11H,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).