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

C16H18N6 — CID 90783272

IUPAC4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCC1CCN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C1
InChIInChI=1S/C16H18N6/c1-10-4-7-22(9-10)13-3-6-18-15-14(13)11(8-20-15)12-2-5-19-16(17)21-12/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyIRBJHRFBONFMCS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.45
Rot. Bonds2

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

4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 90783272) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID90783272
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCC1CCN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C1
InChIInChI=1S/C16H18N6/c1-10-4-7-22(9-10)13-3-6-18-15-14(13)11(8-20-15)12-2-5-19-16(17)21-12/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyIRBJHRFBONFMCS-UHFFFAOYSA-N
XLogP2.45
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 90783272) is 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CC1CCN(c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)C1.
What is the InChIKey of 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is IRBJHRFBONFMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10-4-7-22(9-10)13-3-6-18-15-14(13)11(8-20-15)12-2-5-19-16(17)21-12/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 90783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).