8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C16H26N4O — CID 80984600

IUPAC8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1nc(CC)nc(N2C3CCC2CC(O)C3)c1C
InChIInChI=1S/C16H26N4O/c1-4-14-18-15(17-5-2)10(3)16(19-14)20-11-6-7-12(20)9-13(21)8-11/h11-13,21H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyNTYYXWICUIQVRY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds4

About 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80984600) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80984600
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1nc(CC)nc(N2C3CCC2CC(O)C3)c1C
InChIInChI=1S/C16H26N4O/c1-4-14-18-15(17-5-2)10(3)16(19-14)20-11-6-7-12(20)9-13(21)8-11/h11-13,21H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyNTYYXWICUIQVRY-UHFFFAOYSA-N
XLogP2.27
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

6-(2,4-dimethylpiperidin-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982600
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
6-(2,6-dimethylmorpholin-4-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982249
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 102887630
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80992528
N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80985082
6-N,2-diethyl-5-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029063
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 81006896
6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80991257

Frequently Asked Questions

What is the IUPAC name of 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80984600) is 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is CCNc1nc(CC)nc(N2C3CCC2CC(O)C3)c1C.
What is the InChIKey of 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NTYYXWICUIQVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-14-18-15(17-5-2)10(3)16(19-14)20-11-6-7-12(20)9-13(21)8-11/h11-13,21H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 290.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80984600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).