6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine

C16H26N4O — CID 80943776

IUPAC6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(N2CC3CCC(C2)O3)nc(CCC)n1
InChIInChI=1S/C16H26N4O/c1-3-5-14-18-15(17-8-4-2)9-16(19-14)20-10-12-6-7-13(11-20)21-12/h9,12-13H,3-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyHKXHHCVHBZSYTG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.62
Rot. Bonds6

About 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine

6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine (PubChem CID 80943776) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
PubChem CID80943776
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(N2CC3CCC(C2)O3)nc(CCC)n1
InChIInChI=1S/C16H26N4O/c1-3-5-14-18-15(17-8-4-2)9-16(19-14)20-10-12-6-7-13(11-20)21-12/h9,12-13H,3-8,10-11H2,1-2H3,(H,17,18,19)
InChIKeyHKXHHCVHBZSYTG-UHFFFAOYSA-N
XLogP2.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine with MolForge

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Related Compounds

1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674486
6-(2,5-dimethylpiperidin-1-yl)-N,2-dipropylpyrimidin-4-amine
CID 80944214
2-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-propylpyrimidin-4-amine
CID 104961859
3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 103358998
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
6-(4-ethoxypiperidin-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939867
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
3-(6-chloro-2-ethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 80936821
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 104961797
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821

Frequently Asked Questions

What is the IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine (CID 80943776) is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(N2CC3CCC(C2)O3)nc(CCC)n1.
What is the InChIKey of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine?
The InChIKey is HKXHHCVHBZSYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-5-14-18-15(17-8-4-2)9-16(19-14)20-10-12-6-7-13(11-20)21-12/h9,12-13H,3-8,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine?
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80943776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).