3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C19H25N7 — CID 44594272

IUPAC3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCCc1cc(-c2c[nH]c3ncc(NCC4CCNCC4)cc23)nc(N)n1
InChIInChI=1S/C19H25N7/c1-2-13-8-17(26-19(20)25-13)16-11-24-18-15(16)7-14(10-23-18)22-9-12-3-5-21-6-4-12/h7-8,10-12,21-22H,2-6,9H2,1H3,(H,23,24)(H2,20,25,26)
InChIKeyTZBZDUPWSJKTDS-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.58
Rot. Bonds5

About 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine

3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 44594272) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID44594272
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCCc1cc(-c2c[nH]c3ncc(NCC4CCNCC4)cc23)nc(N)n1
InChIInChI=1S/C19H25N7/c1-2-13-8-17(26-19(20)25-13)16-11-24-18-15(16)7-14(10-23-18)22-9-12-3-5-21-6-4-12/h7-8,10-12,21-22H,2-6,9H2,1H3,(H,23,24)(H2,20,25,26)
InChIKeyTZBZDUPWSJKTDS-UHFFFAOYSA-N
XLogP2.58
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 44594272) is 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is CCc1cc(-c2c[nH]c3ncc(NCC4CCNCC4)cc23)nc(N)n1.
What is the InChIKey of 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is TZBZDUPWSJKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-2-13-8-17(26-19(20)25-13)16-11-24-18-15(16)7-14(10-23-18)22-9-12-3-5-21-6-4-12/h7-8,10-12,21-22H,2-6,9H2,1H3,(H,23,24)(H2,20,25,26).
What are the key properties of 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 351.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-ethylpyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 44594272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).