2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine

C18H23N7 — CID 67356790

IUPAC2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCN1CCC(N(C)c2c(-c3ccnc(N)n3)[nH]c3ncccc23)CC1
InChIInChI=1S/C18H23N7/c1-24-10-6-12(7-11-24)25(2)16-13-4-3-8-20-17(13)23-15(16)14-5-9-21-18(19)22-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeySGWDWLYMPBEUQZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine

2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 67356790) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID67356790
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCN1CCC(N(C)c2c(-c3ccnc(N)n3)[nH]c3ncccc23)CC1
InChIInChI=1S/C18H23N7/c1-24-10-6-12(7-11-24)25(2)16-13-4-3-8-20-17(13)23-15(16)14-5-9-21-18(19)22-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,23)(H2,19,21,22)
InChIKeySGWDWLYMPBEUQZ-UHFFFAOYSA-N
XLogP2.13
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 67356790) is 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine is CN1CCC(N(C)c2c(-c3ccnc(N)n3)[nH]c3ncccc23)CC1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is SGWDWLYMPBEUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-24-10-6-12(7-11-24)25(2)16-13-4-3-8-20-17(13)23-15(16)14-5-9-21-18(19)22-14/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 337.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 67356790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).