2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol

C21H21N7O2 — CID 139321348

IUPAC2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol
SMILESNc1ncc(Nc2cc(OCCO)ccn2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H21N7O2/c22-20-21(26-12-14-3-4-17-15(10-14)2-1-6-23-17)28-19(13-25-20)27-18-11-16(5-7-24-18)30-9-8-29/h1-7,10-11,13,29H,8-9,12H2,(H2,22,25)(H2,24,26,27,28)
InChIKeySZEYTFGOOBBUSS-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.73
Rot. Bonds8

About 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol

2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol (PubChem CID 139321348) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol
PubChem CID139321348
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol
SMILESNc1ncc(Nc2cc(OCCO)ccn2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H21N7O2/c22-20-21(26-12-14-3-4-17-15(10-14)2-1-6-23-17)28-19(13-25-20)27-18-11-16(5-7-24-18)30-9-8-29/h1-7,10-11,13,29H,8-9,12H2,(H2,22,25)(H2,24,26,27,28)
InChIKeySZEYTFGOOBBUSS-UHFFFAOYSA-N
XLogP2.73
TPSA131.10 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol with MolForge

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Related Compounds

5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321354
5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321434
5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321423
2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
CID 139321257
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol
CID 123917924
2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol
CID 39746224
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
N-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-4-methoxybenzenesulfinamide
CID 155149978
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
CID 139321349

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol (CID 139321348) is 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol is Nc1ncc(Nc2cc(OCCO)ccn2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol?
The InChIKey is SZEYTFGOOBBUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c22-20-21(26-12-14-3-4-17-15(10-14)2-1-6-23-17)28-19(13-25-20)27-18-11-16(5-7-24-18)30-9-8-29/h1-7,10-11,13,29H,8-9,12H2,(H2,22,25)(H2,24,26,27,28).
What are the key properties of 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol?
2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol has a molecular weight of 403.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol is sourced from PubChem (CID 139321348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).