(1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C15H24N4O — CID 50973810

IUPAC(1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(N(C)C)nc(N2[C@@H]3CC[C@H]2CC(O)C3)c1C
InChIInChI=1S/C15H24N4O/c1-9-10(2)16-15(18(3)4)17-14(9)19-11-5-6-12(19)8-13(20)7-11/h11-13,20H,5-8H2,1-4H3/t11-,12+,13?
InChIKeyQLXZULWMDJTOTQ-FUNVUKJBSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds2

About (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 50973810) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID50973810
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1nc(N(C)C)nc(N2[C@@H]3CC[C@H]2CC(O)C3)c1C
InChIInChI=1S/C15H24N4O/c1-9-10(2)16-15(18(3)4)17-14(9)19-11-5-6-12(19)8-13(20)7-11/h11-13,20H,5-8H2,1-4H3/t11-,12+,13?
InChIKeyQLXZULWMDJTOTQ-FUNVUKJBSA-N
XLogP1.65
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

9-[5,6-Dimethyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72868765
(3S,4S)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50961476
8-(5-Fluoro-6-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 113234156
2-[1-(5-Fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 113260756
8-(6-Ethyl-5-fluoropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 113344320
8-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114562634
8-[2-Amino-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114565102
8-[2-(Methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114565103
8-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 133298084
8-[2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171704071
1-[2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl]-3-piperidinol trifluoroacetate (salt)
CID 45190787
(3-Endo)-8-(6-isopropyl-2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50961645

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 50973810) is (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1nc(N(C)C)nc(N2[C@@H]3CC[C@H]2CC(O)C3)c1C.
What is the InChIKey of (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QLXZULWMDJTOTQ-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9-10(2)16-15(18(3)4)17-14(9)19-11-5-6-12(19)8-13(20)7-11/h11-13,20H,5-8H2,1-4H3/t11-,12+,13?.
What are the key properties of (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 276.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 50973810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).