5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

C10H13ClN4O — CID 106812177

IUPAC5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CC3CCC(C2)O3)c1Cl
InChIInChI=1S/C10H13ClN4O/c11-8-9(12)13-5-14-10(8)15-3-6-1-2-7(4-15)16-6/h5-7H,1-4H2,(H2,12,13,14)
InChIKeyKQTQMKVHLUHLIE-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.08
Rot. Bonds1

About 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine

5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (PubChem CID 106812177) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
PubChem CID106812177
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CC3CCC(C2)O3)c1Cl
InChIInChI=1S/C10H13ClN4O/c11-8-9(12)13-5-14-10(8)15-3-6-1-2-7(4-15)16-6/h5-7H,1-4H2,(H2,12,13,14)
InChIKeyKQTQMKVHLUHLIE-UHFFFAOYSA-N
XLogP1.08
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(3,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106812346
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyrimidin-4-amine
CID 106811734
5-chloro-6-(3-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 106812000
5-chloro-6-(4,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 106811990
5-chloro-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-amine
CID 128729122
5-chloro-6-(2-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 106811779
5-chloro-6-(2-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 106812004
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-3-amine
CID 66391110
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
CID 129482195
[5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methanol
CID 66370552
4-(6-amino-5-chloropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 100652961

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine (CID 106812177) is 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is Nc1ncnc(N2CC3CCC(C2)O3)c1Cl.
What is the InChIKey of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
The InChIKey is KQTQMKVHLUHLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-8-9(12)13-5-14-10(8)15-3-6-1-2-7(4-15)16-6/h5-7H,1-4H2,(H2,12,13,14).
What are the key properties of 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine?
5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine has a molecular weight of 240.69 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 106812177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).