8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C15H24N4O — CID 80950597

IUPAC8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCc1nc(NC)cc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C15H24N4O/c1-3-4-13-17-14(16-2)9-15(18-13)19-10-5-6-11(19)8-12(20)7-10/h9-12,20H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLHJOZUMVFYYFJB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds4

About 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80950597) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80950597
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCc1nc(NC)cc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C15H24N4O/c1-3-4-13-17-14(16-2)9-15(18-13)19-10-5-6-11(19)8-12(20)7-10/h9-12,20H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyLHJOZUMVFYYFJB-UHFFFAOYSA-N
XLogP1.96
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-amino-6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845815
8-[6-(methylamino)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845741
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80944630
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950038
8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845359
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-2-propylpyrimidin-4-amine
CID 80941631
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-propylpyrimidin-4-amine
CID 80944351
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674486
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954685
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
8-[2-(methylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846082

Frequently Asked Questions

What is the IUPAC name of 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80950597) is 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is CCCc1nc(NC)cc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LHJOZUMVFYYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-13-17-14(16-2)9-15(18-13)19-10-5-6-11(19)8-12(20)7-10/h9-12,20H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 276.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80950597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).