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

C20H27N7 — CID 70726243

IUPAC4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1cc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)nc(N(C)C)n1
InChIInChI=1S/C20H27N7/c1-4-13-11-17(25-20(24-13)27(2)3)16-12-18(23-14-5-8-21-9-6-14)26-19-15(16)7-10-22-19/h7,10-12,14,21H,4-6,8-9H2,1-3H3,(H2,22,23,26)
InChIKeyWQGRFSJANLLBAY-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.81
Rot. Bonds5

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

4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70726243) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70726243
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1cc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)nc(N(C)C)n1
InChIInChI=1S/C20H27N7/c1-4-13-11-17(25-20(24-13)27(2)3)16-12-18(23-14-5-8-21-9-6-14)26-19-15(16)7-10-22-19/h7,10-12,14,21H,4-6,8-9H2,1-3H3,(H2,22,23,26)
InChIKeyWQGRFSJANLLBAY-UHFFFAOYSA-N
XLogP2.81
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56883354
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56901398
N-[(1R)-1-[4-[6-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]ethyl]acetamide
CID 95728145
6-ethyl-2-(4-methylphenyl)-N-piperidin-4-ylpyrimidin-4-amine
CID 56766967
N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70729671
6-ethyl-4-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 135093000
4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
CID 55206429
2-ethyl-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075343
N-piperidin-4-yl-2-propan-2-ylpyrimidin-4-amine
CID 83838042
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203
2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine
CID 71564132
2-ethyl-6-phenyl-N-piperidin-4-ylpyrimidin-4-amine
CID 56767062

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70726243) is 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is CCc1cc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)nc(N(C)C)n1.
What is the InChIKey of 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is WQGRFSJANLLBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-4-13-11-17(25-20(24-13)27(2)3)16-12-18(23-14-5-8-21-9-6-14)26-19-15(16)7-10-22-19/h7,10-12,14,21H,4-6,8-9H2,1-3H3,(H2,22,23,26).
What are the key properties of 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 365.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70726243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).