amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol

C16H23N5O — CID 170422932

IUPACamino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol
SMILESCCc1nc(C(N)O)c(Nc2cccc(CCN)c2)nc1C
InChIInChI=1S/C16H23N5O/c1-3-13-10(2)19-16(14(21-13)15(18)22)20-12-6-4-5-11(9-12)7-8-17/h4-6,9,15,22H,3,7-8,17-18H2,1-2H3,(H,19,20)
InChIKeyUSVQVGDPDVOGEO-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.54
Rot. Bonds6

About amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol

amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol (PubChem CID 170422932) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Nameamino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol
PubChem CID170422932
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Nameamino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol
SMILESCCc1nc(C(N)O)c(Nc2cccc(CCN)c2)nc1C
InChIInChI=1S/C16H23N5O/c1-3-13-10(2)19-16(14(21-13)15(18)22)20-12-6-4-5-11(9-12)7-8-17/h4-6,9,15,22H,3,7-8,17-18H2,1-2H3,(H,19,20)
InChIKeyUSVQVGDPDVOGEO-UHFFFAOYSA-N
XLogP1.54
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-aminoethyl)anilino]-5-chloro-6-ethylpyrazine-2-carboxamide
CID 167487007
3-[3-(2-aminoethyl)anilino]-5-(dimethylamino)-6-ethylpyrazine-2-carboxamide
CID 167486803
[(2S)-1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylamino]-1-oxopropan-2-yl]-methylcarbamic acid
CID 170354699
[1-[2-[3-[(3-carbamoyl-5-ethyl-6-methylpyrazin-2-yl)amino]phenyl]ethylcarbamoyl]cyclopropyl]-methylcarbamic acid
CID 170354724
3-[3-(2-aminoethyl)anilino]-N,6-dimethyl-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487253
tert-butyl N-[(2R)-2-[3-[[3-[amino(hydroxy)methyl]-6-chloro-5-ethylpyrazin-2-yl]amino]phenyl]propyl]carbamate
CID 168970557
3-[3-[2-[[(2S)-2-[[(E)-4-(azetidin-1-yl)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-6-ethyl-5-methylpyrazine-2-carboxamide
CID 167487488
6-ethyl-3-[3-[2-[[(2S)-2-[[(E)-4-(3-fluoroazetidin-1-yl)but-2-enoyl]-methylamino]propanoyl]amino]ethyl]anilino]-5-methylpyrazine-2-carboxamide
CID 170307692
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
6-ethyl-3-[3-[3-(methylamino)propyl]anilino]-5-[methyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 167487102
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282

Frequently Asked Questions

What is the IUPAC name of amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol?
The IUPAC name of amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol (CID 170422932) is amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol is CCc1nc(C(N)O)c(Nc2cccc(CCN)c2)nc1C.
What is the InChIKey of amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol?
The InChIKey is USVQVGDPDVOGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-13-10(2)19-16(14(21-13)15(18)22)20-12-6-4-5-11(9-12)7-8-17/h4-6,9,15,22H,3,7-8,17-18H2,1-2H3,(H,19,20).
What are the key properties of amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol?
amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[3-[3-(2-aminoethyl)anilino]-6-ethyl-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 170422932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).