[2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol

C16H26N4O2 — CID 143430168

IUPAC[2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol
SMILES[H]/N=C/c1c(NCC)nc(CC)c(CO)c1NC1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-3-14-13(10-21)15(19-11-5-7-22-8-6-11)12(9-17)16(20-14)18-4-2/h9,11,17,21H,3-8,10H2,1-2H3,(H2,18,19,20)/b17-9+
InChIKeyOWEOHUFZXVKHER-RQZCQDPDSA-N
MW306.41 g/mol
LogP2.16
Rot. Bonds7

About [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol

[2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol (PubChem CID 143430168) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol
PubChem CID143430168
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol
SMILES[H]/N=C/c1c(NCC)nc(CC)c(CO)c1NC1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-3-14-13(10-21)15(19-11-5-7-22-8-6-11)12(9-17)16(20-14)18-4-2/h9,11,17,21H,3-8,10H2,1-2H3,(H2,18,19,20)/b17-9+
InChIKeyOWEOHUFZXVKHER-RQZCQDPDSA-N
XLogP2.16
TPSA90.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994246
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
1-ethyl-5-methanimidoyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 163547550
4-amino-6-(oxan-4-ylamino)-2-propylpyrimidine-5-carboximidoyl iodide
CID 129019409
1-[5-methanimidoyl-4-(oxan-4-ylamino)-6-oxo-1H-pyrimidin-2-yl]ethyl methanesulfinate
CID 136650396
N,N'-bis[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]pentanediamide
CID 25066850
[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 59683229
2-fluoro-2-methylpropane;5-methanimidoyl-4-(oxan-4-ylamino)-2-[(2-pyridin-4-ylphenyl)methyl]-1H-pyrimidin-6-one
CID 143871276
5-methanimidoyl-3-methyl-6-(oxan-4-ylamino)-2-[(4-pyridin-2-ylphenyl)methyl]pyrimidin-4-one
CID 137298294
[3-[5-methanimidoyl-6-[(1-methylpiperidin-4-yl)amino]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanol
CID 130239218
6-N-ethyl-8-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80789191
N-cyclohexyl-2,3-diethyl-6-methyl-5-(methyliminomethyl)pyridin-4-amine;propane
CID 143430267

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol?
The IUPAC name of [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol (CID 143430168) is [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol?
The canonical SMILES for [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol is [H]/N=C/c1c(NCC)nc(CC)c(CO)c1NC1CCOCC1.
What is the InChIKey of [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol?
The InChIKey is OWEOHUFZXVKHER-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-14-13(10-21)15(19-11-5-7-22-8-6-11)12(9-17)16(20-14)18-4-2/h9,11,17,21H,3-8,10H2,1-2H3,(H2,18,19,20)/b17-9+.
What are the key properties of [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol?
[2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol has a molecular weight of 306.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(ethylamino)-5-methanimidoyl-4-(oxan-4-ylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 143430168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).