4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C14H15N5O2 — CID 24801186

IUPAC4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C14H15N5O2/c1-20-6-7-21-11-3-5-16-13-12(11)9(8-18-13)10-2-4-17-14(15)19-10/h2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyNFOHQNIARGGZFN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.63
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24801186) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24801186
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C14H15N5O2/c1-20-6-7-21-11-3-5-16-13-12(11)9(8-18-13)10-2-4-17-14(15)19-10/h2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyNFOHQNIARGGZFN-UHFFFAOYSA-N
XLogP1.63
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 24801186) is 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is COCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.
What is the InChIKey of 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is NFOHQNIARGGZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-20-6-7-21-11-3-5-16-13-12(11)9(8-18-13)10-2-4-17-14(15)19-10/h2-5,8H,6-7H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 285.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24801186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).