8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C14H22N4O — CID 80845359

IUPAC8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNc1cc(N2C3CCC2CC(O)C3)ncn1
InChIInChI=1S/C14H22N4O/c1-2-5-15-13-8-14(17-9-16-13)18-10-3-4-11(18)7-12(19)6-10/h8-12,19H,2-7H2,1H3,(H,15,16,17)
InChIKeyUABIFRYZHYMDET-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.79
Rot. Bonds4

About 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80845359) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80845359
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCNc1cc(N2C3CCC2CC(O)C3)ncn1
InChIInChI=1S/C14H22N4O/c1-2-5-15-13-8-14(17-9-16-13)18-10-3-4-11(18)7-12(19)6-10/h8-12,19H,2-7H2,1H3,(H,15,16,17)
InChIKeyUABIFRYZHYMDET-UHFFFAOYSA-N
XLogP1.79
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.79
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
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 63769851
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
8-[6-(methylamino)-2-propylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80950597
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
2-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82693758
8-[5-methyl-2-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80846542
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855501

Frequently Asked Questions

What is the IUPAC name of 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80845359) is 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is CCCNc1cc(N2C3CCC2CC(O)C3)ncn1.
What is the InChIKey of 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UABIFRYZHYMDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-5-15-13-8-14(17-9-16-13)18-10-3-4-11(18)7-12(19)6-10/h8-12,19H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 262.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80845359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).